A0A077ZDE8_TRITR Loading...

DUF1647 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZDE8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 213 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.2Very low48.9Very low237 Ų237140.5 Ų140.5100%1.16767%0.67SS**  04.50-103.3174.6178.800115.1
2V46.3Very low48.1Very low118 Ų118139.4 Ų139.472%0.71566%0.66SS**  trans-91.6-2.7-170.4178.80000115.1
3N50.1Low47.8Very low142 Ų142138.7 Ų138.776%0.75966%0.656SS**Hα-helixtrans-93.8-10.4-170.3-131.1-0.5000116.2
4R50.2Low47.7Very low209 Ų209139.4 Ų139.479%0.78966%0.656SS**Hα-helixtrans-82.8-39.7178.9-94.2-175.2176.1173.6-1.7112.8L6 K7 E8R4-L6 PolarHBondContact O-N 3.24Å; R4-K7 PolarHBondContact O-N 3.45Å; R4-E8 PolarHBondContact O-N 3.17Å
5T52.5Low47.4Very low83 Ų83138.7 Ų138.751%0.50965%0.649SS.*Hα-helixtrans-68.6-35.7-173.8-22.40000112.9N9T5-N9 PolarHBondContact O-N 3Å; T5-N9 VanDerWaalsContact O-N 3.12Å
6L48.4Very low47.7Very low118 Ų118136.8 Ų136.862%0.61864%0.644SS**Hα-helixtrans-65.7-39.8175.7-90.9153.5000112.3R4 F10R4-L6 PolarHBondContact O-N 3.24Å; L6-F10 WeakPolarHBondContact O-CB 3.33Å; L6-F10 PolarHBondContact O-N 3.31Å
7K50.1Low48.3Very low150 Ų150134 Ų13465%0.65264%0.638SS**Hα-helixtrans-68.9-38.5-180-166.2175.8-178.1-179.40112R4 W11R4-K7 PolarHBondContact O-N 3.45Å; K7-W11 PolarHBondContact O-N 3.12Å; K7-W11 VanDerWaalsContact O-N 3.17Å
8E51Low48.3Very low112 Ų112128.4 Ų128.452%0.52362%0.622SS.*Hα-helixtrans-69.4-41.2176.8-73.5179.1-177.500112.5R4 K12R4-E8 PolarHBondContact O-N 3.17Å; E8-K12 WeakPolarHBondContact O-CG 3.41Å; E8-K12 PolarHBondContact O-N 2.97Å; E8-K12 VanDerWaalsContact O-N 3.08Å
9N49.6Very low48.9Very low83 Ų83127.5 Ų127.544%0.44462%0.619SS.*Hα-helixtrans-69.1-36.7176.8-75.9-15.6000112.3T5 K12 H13T5-N9 PolarHBondContact O-N 3Å; T5-N9 VanDerWaalsContact O-N 3.12Å; N9-K12 PolarHBondContact O-N 3.39Å; N9-H13 PolarHBondContact O-CD2 3.43Å; N9-H13 PolarHBondContact O-N 3.05Å
10F53Low49.4Very low135 Ų135123.6 Ų123.659%0.59261%0.609SS**Hα-helixtrans-63.1-45.4175.6-171.9-97.4000111.9L6 H13 F14L6-F10 WeakPolarHBondContact O-CB 3.33Å; L6-F10 PolarHBondContact O-N 3.31Å; F10-H13 PolarHBondContact O-N 2.75Å; F10-F14 HydrophobicContact CE1-CD2 4.31Å; F10-F14 HydrophobicContact CZ-CD2 4.24Å; F10-F14 WeakPolarHBondContact O-CB 3.48Å; F10-F14 PolarHBondContact O-N 3.08Å
11W42.1Very low50.3Low159 Ų159121.3 Ų121.360%0.60260%0.602SS**Hα-helixtrans-65.8-38.1177.1-94.575.1000113K7 F14 F15K7-W11 PolarHBondContact O-N 3.12Å; K7-W11 VanDerWaalsContact O-N 3.17Å; W11-F14 PolarHBondContact O-N 2.96Å; W11-F15 AromaticContact CE3-CD2 3.82Å; W11-F15 HydrophobicContact CE3-CD2 3.82Å; W11-F15 AromaticContact CE3-CE2 3.58Å; W11-F15 HydrophobicContact CE3-CE2 3.58Å; W11-F15 HydrophobicContact CZ3-CD2 4.25Å; W11-F15 AromaticContact CZ3-CE2 3.6Å; W11-F15 HydrophobicContact CZ3-CE2 3.6Å; W11-F15 WeakPolarHBondContact O-CB 3.41Å; W11-F15 PolarHBondContact O-N 3.46Å
12K40.4Very low51.3Low127 Ų127114.2 Ų114.255%0.55257%0.572SS**Hα-helixtrans-62.4-47.6175.3-75.6175.7-177.7175.50111.9E8 N9 F15 I16E8-K12 WeakPolarHBondContact O-CG 3.41Å; E8-K12 PolarHBondContact O-N 2.97Å; E8-K12 VanDerWaalsContact O-N 3.08Å; N9-K12 PolarHBondContact O-N 3.39Å; K12-F15 PolarHBondContact O-N 3.03Å; K12-I16 VanDerWaalsContact O-CG1 3.27Å; K12-I16 WeakPolarHBondContact O-CG1 3.36Å; K12-I16 PolarHBondContact O-N 2.81Å
13H43.2Very low52.4Low130 Ų130112 Ų11260%0.60256%0.562SS**Hα-helixtrans-65.4-40.5177.9-85.4-72.6000112.3N9 F10 F15 I16 V17N9-H13 PolarHBondContact O-CD2 3.43Å; N9-H13 PolarHBondContact O-N 3.05Å; F10-H13 PolarHBondContact O-N 2.75Å; H13-F15 PolarHBondContact O-N 3.21Å; H13-I16 PolarHBondContact O-N 3.44Å; H13-V17 WeakPolarHBondContact O-CB 3.42Å; H13-V17 VanDerWaalsContact O-CG2 3.26Å; H13-V17 WeakPolarHBondContact O-CG2 3.42Å; H13-V17 PolarHBondContact O-N 3.12Å
14F46.7Very low53.4Low149 Ų149111.2 Ų111.265%0.65456%0.557SS**Hα-helixtrans-65.1-38.8177.7-145.6-90.2000112F10 W11 G18F10-F14 HydrophobicContact CE1-CD2 4.31Å; F10-F14 HydrophobicContact CZ-CD2 4.24Å; F10-F14 WeakPolarHBondContact O-CB 3.48Å; F10-F14 PolarHBondContact O-N 3.08Å; W11-F14 PolarHBondContact O-N 2.96Å; F14-G18 PolarHBondContact O-N 3.22Å
15F43.6Very low54.3Low128 Ų128106.5 Ų106.556%0.56155%0.546SS*.Hα-helixtrans-64.7-44.4174.3-108.2-79.9000112.8W11 K12 H13 G18 L19W11-F15 AromaticContact CE3-CD2 3.82Å; W11-F15 HydrophobicContact CE3-CD2 3.82Å; W11-F15 AromaticContact CE3-CE2 3.58Å; W11-F15 HydrophobicContact CE3-CE2 3.58Å; W11-F15 HydrophobicContact CZ3-CD2 4.25Å; W11-F15 AromaticContact CZ3-CE2 3.6Å; W11-F15 HydrophobicContact CZ3-CE2 3.6Å; W11-F15 WeakPolarHBondContact O-CB 3.41Å; W11-F15 PolarHBondContact O-N 3.46Å; K12-F15 PolarHBondContact O-N 3.03Å; H13-F15 PolarHBondContact O-N 3.21Å; F15-G18 PolarHBondContact O-N 2.98Å; F15-L19 WeakPolarHBondContact O-CB 3.45Å; F15-L19 PolarHBondContact O-N 3.31Å
16I52.6Low55Low109 Ų109104.5 Ų104.556%0.55954%0.539SS*.Hα-helixtrans-66.6-44.6-179.5-67165.8000110.7K12 H13 L19 A20K12-I16 VanDerWaalsContact O-CG1 3.27Å; K12-I16 WeakPolarHBondContact O-CG1 3.36Å; K12-I16 PolarHBondContact O-N 2.81Å; H13-I16 PolarHBondContact O-N 3.44Å; I16-L19 PolarHBondContact O-N 2.74Å; I16-A20 WeakPolarHBondContact O-CB 3.26Å; I16-A20 PolarHBondContact O-N 3.45Å
17V57.3Low55.8Low89 Ų89103.9 Ų103.954%0.53953%0.534SS..Hα-helixtrans-65.3-41.9177.4175.70000110.5H13 A20 V21H13-V17 WeakPolarHBondContact O-CB 3.42Å; H13-V17 VanDerWaalsContact O-CG2 3.26Å; H13-V17 WeakPolarHBondContact O-CG2 3.42Å; H13-V17 PolarHBondContact O-N 3.12Å; V17-A20 PolarHBondContact O-N 2.91Å; V17-V21 HydrophobicContact CG1-CG2 4.39Å; V17-V21 VanDerWaalsContact O-CG2 3.3Å; V17-V21 WeakPolarHBondContact O-CG2 3.45Å; V17-V21 PolarHBondContact O-N 3.37Å
18G48.7Very low56.5Low34 Ų34102.9 Ų102.935%0.35153%0.529SS..Hα-helixtrans-59.2-47.1174.800000112.9F14 F15 V21 T22F14-G18 PolarHBondContact O-N 3.22Å; F15-G18 PolarHBondContact O-N 2.98Å; G18-V21 PolarHBondContact O-N 3.48Å; G18-T22 WeakPolarHBondContact O-CG2 3.27Å; G18-T22 PolarHBondContact O-N 3.29Å; G18-T22 PolarHBondContact O-OG1 3.13Å
19L60.2Low57.4Low111 Ų111101.4 Ų101.458%0.58153%0.528SS*.Hα-helixtrans-60.5-45.6175.8-86157.3000112F15 I16 V21 T22 S23F15-L19 WeakPolarHBondContact O-CB 3.45Å; F15-L19 PolarHBondContact O-N 3.31Å; I16-L19 PolarHBondContact O-N 2.74Å; L19-V21 PolarHBondContact O-N 3.03Å; L19-T22 PolarHBondContact O-N 2.68Å; L19-T22 PolarHBondContact O-OG1 3.3Å; L19-S23 WeakPolarHBondContact O-CB 3.4Å; L19-S23 PolarHBondContact O-N 3.49Å
20A58.8Low58.1Low49 Ų49100 Ų10041%0.40552%0.52SS..Hα-helixtrans-63-41.9179.300000112.6I16 V17 S23 L24I16-A20 WeakPolarHBondContact O-CB 3.26Å; I16-A20 PolarHBondContact O-N 3.45Å; V17-A20 PolarHBondContact O-N 2.91Å; A20-S23 PolarHBondContact O-N 3.44Å; A20-L24 PolarHBondContact O-N 2.96Å
21V68.1Low58.4Low76 Ų7699 Ų9946%0.46152%0.518SS..Hα-helixtrans-66.4-41.6177.4173.30000111.2V17 G18 L19 S23 L24 L25V17-V21 HydrophobicContact CG1-CG2 4.39Å; V17-V21 VanDerWaalsContact O-CG2 3.3Å; V17-V21 WeakPolarHBondContact O-CG2 3.45Å; V17-V21 PolarHBondContact O-N 3.37Å; G18-V21 PolarHBondContact O-N 3.48Å; L19-V21 PolarHBondContact O-N 3.03Å; V21-S23 VanDerWaalsContact C-N 3.35Å; V21-S23 PolarHBondContact O-N 2.92Å; V21-L24 PolarHBondContact O-N 3.4Å; V21-L25 HydrophobicContact CG1-CD1 4.05Å; V21-L25 PolarHBondContact O-N 3.49Å
22T64Low59.4Low88 Ų8895.6 Ų95.654%0.5451%0.512SS..Hα-helixtrans-65.1-37.3175.859.20000112.6G18 L19 L25 A26G18-T22 WeakPolarHBondContact O-CG2 3.27Å; G18-T22 PolarHBondContact O-N 3.29Å; G18-T22 PolarHBondContact O-OG1 3.13Å; L19-T22 PolarHBondContact O-N 2.68Å; L19-T22 PolarHBondContact O-OG1 3.3Å; T22-L25 PolarHBondContact O-N 3.27Å; T22-A26 WeakPolarHBondContact O-CB 3.41Å; T22-A26 PolarHBondContact O-N 2.59Å
23S70.4Confident59.8Low72 Ų7292.9 Ų92.950%0.50351%0.508SS..Hα-helixtrans-64.5-42.7174.9177.60000112.1L19 A20 V21 A26 M27L19-S23 WeakPolarHBondContact O-CB 3.4Å; L19-S23 PolarHBondContact O-N 3.49Å; A20-S23 PolarHBondContact O-N 3.44Å; V21-S23 VanDerWaalsContact C-N 3.35Å; V21-S23 PolarHBondContact O-N 2.92Å; S23-A26 PolarHBondContact O-N 3.1Å; S23-M27 WeakPolarHBondContact O-CB 3.45Å; S23-M27 WeakPolarHBondContact O-CG 3.41Å; S23-M27 PolarHBondContact O-N 2.87Å
24L70.2Confident60.2Low124 Ų12491.1 Ų91.165%0.64950%0.503SS*.Hα-helixtrans-65-40.5176.7-81.8158.9000112.8A20 V21 M27 K28A20-L24 PolarHBondContact O-N 2.96Å; V21-L24 PolarHBondContact O-N 3.4Å; L24-M27 PolarHBondContact O-N 3.13Å; L24-K28 PolarHBondContact O-N 2.88Å
25L69.8Low60.6Low110 Ų11090.9 Ų90.958%0.57650%0.501SS*.Hα-helixtrans-65-44.8174.6-98.5142000111.7V21 T22 M27 K28 V29V21-L25 HydrophobicContact CG1-CD1 4.05Å; V21-L25 PolarHBondContact O-N 3.49Å; T22-L25 PolarHBondContact O-N 3.27Å; L25-M27 PolarHBondContact O-N 3.4Å; L25-K28 PolarHBondContact O-N 3.5Å; L25-V29 WeakPolarHBondContact O-CG2 3.21Å; L25-V29 PolarHBondContact O-N 3.47Å
26A67.9Low61Low42 Ų4292 Ų9235%0.34751%0.506SS..Hα-helixtrans-60.1-45.4174.900000111.3T22 S23 K28 V29 I30T22-A26 WeakPolarHBondContact O-CB 3.41Å; T22-A26 PolarHBondContact O-N 2.59Å; S23-A26 PolarHBondContact O-N 3.1Å; A26-K28 VanDerWaalsContact C-N 3.3Å; A26-K28 PolarHBondContact O-N 3.43Å; A26-V29 PolarHBondContact O-N 3.44Å; A26-I30 WeakPolarHBondContact O-CB 3.34Å; A26-I30 VanDerWaalsContact O-CG1 3.25Å; A26-I30 WeakPolarHBondContact O-CG1 3.44Å; A26-I30 PolarHBondContact O-N 3.03Å
27M63.5Low60.9Low104 Ų10493.3 Ų93.351%0.51250%0.504SS..Hα-helixtrans-60.1-38.3175.2-77.1-64.7-69.900112.4S23 L24 L25 I30 M31S23-M27 WeakPolarHBondContact O-CB 3.45Å; S23-M27 WeakPolarHBondContact O-CG 3.41Å; S23-M27 PolarHBondContact O-N 2.87Å; L24-M27 PolarHBondContact O-N 3.13Å; L25-M27 PolarHBondContact O-N 3.4Å; M27-I30 PolarHBondContact O-N 2.97Å; M27-M31 WeakPolarHBondContact O-CB 3.39Å; M27-M31 WeakPolarHBondContact O-CG 3.4Å; M27-M31 PolarHBondContact O-N 3.34Å
28K65.9Low60.6Low129 Ų12997.9 Ų97.956%0.56152%0.517SS*.Hα-helixtrans-68-44177-171.4147.1-175.9173.30112.2L24 L25 A26 I30 M31 D32L24-K28 PolarHBondContact O-N 2.88Å; L25-K28 PolarHBondContact O-N 3.5Å; A26-K28 VanDerWaalsContact C-N 3.3Å; A26-K28 PolarHBondContact O-N 3.43Å; K28-I30 VanDerWaalsContact C-N 3.33Å; K28-I30 PolarHBondContact O-N 3.41Å; K28-M31 PolarHBondContact O-N 3Å; K28-D32 WeakPolarHBondContact O-CB 3.25Å; K28-D32 VanDerWaalsContact O-CG 3.29Å; K28-D32 PolarHBondContact O-N 2.99Å
29V69.8Low60.6Low81 Ų81102.2 Ų102.249%0.49153%0.532SS..Hα-helixtrans-61.4-42174.5174.30000111.1L25 A26 D32 C33L25-V29 WeakPolarHBondContact O-CG2 3.21Å; L25-V29 PolarHBondContact O-N 3.47Å; A26-V29 PolarHBondContact O-N 3.44Å; V29-D32 PolarHBondContact O-N 2.75Å; V29-C33 WeakPolarHBondContact O-CB 3.47Å; V29-C33 PolarHBondContact O-N 3.14Å; V29-C33 PolarHBondContact O-SG 2.55Å
30I64.5Low59.7Low54 Ų54102.1 Ų102.128%0.27753%0.532SS..Hα-helixtrans-62.6-46.2175.4-68.5164.7000110.7A26 M27 K28 D32 C33 L34A26-I30 WeakPolarHBondContact O-CB 3.34Å; A26-I30 VanDerWaalsContact O-CG1 3.25Å; A26-I30 WeakPolarHBondContact O-CG1 3.44Å; A26-I30 PolarHBondContact O-N 3.03Å; M27-I30 PolarHBondContact O-N 2.97Å; K28-I30 VanDerWaalsContact C-N 3.33Å; K28-I30 PolarHBondContact O-N 3.41Å; I30-D32 PolarHBondContact O-N 3.47Å; I30-C33 PolarHBondContact O-N 3.42Å; I30-L34 HydrophobicContact CG2-CD1 3.96Å; I30-L34 HydrophobicContact CG2-CG 4.36Å; I30-L34 WeakPolarHBondContact O-CB 3.47Å; I30-L34 VanDerWaalsContact O-CG 3.27Å; I30-L34 WeakPolarHBondContact O-CG 3.46Å; I30-L34 PolarHBondContact O-N 3.35Å
31M58.9Low58.9Low113 Ų113103.6 Ų103.656%0.55754%0.537SS*.Hα-helixtrans-62.8-41.3177.1-75.9-160-58.500112.2M27 K28 L34 K35M27-M31 WeakPolarHBondContact O-CB 3.39Å; M27-M31 WeakPolarHBondContact O-CG 3.4Å; M27-M31 PolarHBondContact O-N 3.34Å; K28-M31 PolarHBondContact O-N 3Å; M31-L34 PolarHBondContact O-N 2.98Å; M31-K35 WeakPolarHBondContact O-CB 3.34Å; M31-K35 PolarHBondContact O-N 3.03Å
32D62.4Low57.9Low89 Ų89103.1 Ų103.148%0.47654%0.537SS..Hα-helixtrans-66.8-40.5177.6-70.3-22.7000111K28 V29 I30 K35 F36K28-D32 WeakPolarHBondContact O-CB 3.25Å; K28-D32 VanDerWaalsContact O-CG 3.29Å; K28-D32 PolarHBondContact O-N 2.99Å; V29-D32 PolarHBondContact O-N 2.75Å; I30-D32 PolarHBondContact O-N 3.47Å; D32-K35 PolarHBondContact O-N 3.05Å; D32-F36 WeakPolarHBondContact O-CB 3.19Å; D32-F36 PolarHBondContact O-N 3.49Å
33C48.7Very low57.1Low70 Ų70102.4 Ų102.447%0.47354%0.54SS..Hα-helixtrans-61.3-43.9171.3-83.40000112.6V29 I30 K35 F36 R37V29-C33 WeakPolarHBondContact O-CB 3.47Å; V29-C33 PolarHBondContact O-N 3.14Å; V29-C33 PolarHBondContact O-SG 2.55Å; I30-C33 PolarHBondContact O-N 3.42Å; C33-K35 VanDerWaalsContact C-N 3.32Å; C33-K35 PolarHBondContact O-N 3.37Å; C33-F36 PolarHBondContact O-N 2.83Å; C33-R37 WeakPolarHBondContact O-CB 3.41Å; C33-R37 PolarHBondContact O-N 2.99Å
34L53.3Low56.1Low92 Ų92103 Ų10348%0.48254%0.544SS..Hα-helixtrans-65.8-36.2176.9-72.7173.7000111.7I30 M31 R37 K38I30-L34 HydrophobicContact CG2-CD1 3.96Å; I30-L34 HydrophobicContact CG2-CG 4.36Å; I30-L34 WeakPolarHBondContact O-CB 3.47Å; I30-L34 VanDerWaalsContact O-CG 3.27Å; I30-L34 WeakPolarHBondContact O-CG 3.46Å; I30-L34 PolarHBondContact O-N 3.35Å; M31-L34 PolarHBondContact O-N 2.98Å; L34-R37 PolarHBondContact O-N 3.41Å; L34-K38 WeakPolarHBondContact O-CG 3.27Å; L34-K38 PolarHBondContact O-N 3.34Å
35K54.1Low55.1Low145 Ų145104.3 Ų104.363%0.6355%0.547SS*.Hα-helixtrans-69.5-40.3176.7-149.9177.2-170.8-177.40111.5M31 D32 C33 R37 N39M31-K35 WeakPolarHBondContact O-CB 3.34Å; M31-K35 PolarHBondContact O-N 3.03Å; D32-K35 PolarHBondContact O-N 3.05Å; C33-K35 VanDerWaalsContact C-N 3.32Å; C33-K35 PolarHBondContact O-N 3.37Å; K35-R37 VanDerWaalsContact C-N 3.35Å; K35-N39 PolarHBondContact O-ND2 3.08Å
36F51.7Low54.4Low150 Ų150103.5 Ų103.566%0.65854%0.54SS*.Hα-helixtrans-61.6-43.6171.7-172.3-98.8000111.3D32 C33 N39 L40D32-F36 WeakPolarHBondContact O-CB 3.19Å; D32-F36 PolarHBondContact O-N 3.49Å; C33-F36 PolarHBondContact O-N 2.83Å; F36-N39 PolarHBondContact O-N 2.96Å; F36-L40 HydrophobicContact CD1-CD1 4.18Å; F36-L40 HydrophobicContact CE1-CD1 3.69Å; F36-L40 HydrophobicContact CZ-CD1 4.14Å; F36-L40 PolarHBondContact O-N 3.34Å
37R49.9Very low53.7Low137 Ų137104.9 Ų104.952%0.51754%0.541SS..Hα-helixtrans-64.8-39.8179.8-169.1177.1179.2168.23.9113.5C33 L34 K35 N39 L40 E113C33-R37 WeakPolarHBondContact O-CB 3.41Å; C33-R37 PolarHBondContact O-N 2.99Å; L34-R37 PolarHBondContact O-N 3.41Å; K35-R37 VanDerWaalsContact C-N 3.35Å; R37-N39 PolarHBondContact O-N 3.11Å; R37-L40 PolarHBondContact O-N 3.49Å; R37-E113 IonicContact CZ-OE1 3.78Å; R37-E113 VanDerWaalsContact CZ-OE1 3.28Å; R37-E113 IonicContact NE-OE1 3.52Å; R37-E113 PolarHBondContact NE-OE1 3.28Å; R37-E113 VanDerWaalsContact NE-OE1 3.13Å; R37-E113 IonicContact NH2-OE1 2.8Å; R37-E113 PolarHBondContact NH2-OE1 3.39Å
38K51.7Low53.5Low186 Ų186101.9 Ų101.981%0.80953%0.531SS*.Hα-helixtrans-66.3-20.7176.8-77.5-173.8178.1-174.70113.9L34L34-K38 WeakPolarHBondContact O-CG 3.27Å; L34-K38 PolarHBondContact O-N 3.34Å
39N48.5Very low53.1Low125 Ų12598.9 Ų98.967%0.66852%0.523SS*.THydrogen-bonded Turntrans-98.1-0.1-179-69.3-20.4000113.3K35 F36 R37 P41K35-N39 PolarHBondContact O-ND2 3.08Å; F36-N39 PolarHBondContact O-N 2.96Å; R37-N39 PolarHBondContact O-N 3.11Å; N39-P41 WeakPolarHBondContact O-CD 3.37Å
40L42.6Very low52.7Low109 Ų10996 Ų9657%0.57150%0.504SS*.SBendtrans-73.2120.1172.2-121.486.5000108.5F36 R37 S42F36-L40 HydrophobicContact CD1-CD1 4.18Å; F36-L40 HydrophobicContact CE1-CD1 3.69Å; F36-L40 HydrophobicContact CZ-CD1 4.14Å; F36-L40 PolarHBondContact O-N 3.34Å; R37-L40 PolarHBondContact O-N 3.49Å; L40-S42 PolarHBondContact O-N 3.45Å
41P41.3Very low52.4Low79 Ų79101.8 Ų101.851%0.51352%0.524SS..PPolyproline II helixtrans-56.8138.8171.1-18.229.7000109.2N39 A43N39-P41 WeakPolarHBondContact O-CD 3.37Å; P41-A43 PolarHBondContact O-N 2.98Å
42S46.1Very low52.7Low66 Ų6697.1 Ų97.146%0.46250%0.501SS..PPolyproline II helixtrans-59.8130.6173.290.40000107.9L40 S44 E45L40-S42 PolarHBondContact O-N 3.45Å; S42-S44 PolarHBondContact O-N 3.28Å; S42-E45 PolarHBondContact O-N 3.39Å
43A49Very low52.8Low73 Ų7399.1 Ų99.160%0.60352%0.522SS*.THydrogen-bonded Turntrans-56.1-16.9-179.800000112.8P41P41-A43 PolarHBondContact O-N 2.98Å
44S47.5Very low53.8Low86 Ų8698.4 Ų98.460%0.60151%0.514SS*.THydrogen-bonded Turntrans-70.3-31.5176.4-173.60000114.2S42 H46 L47S42-S44 PolarHBondContact O-N 3.28Å; S44-H46 PolarHBondContact O-N 3Å; S44-L47 PolarHBondContact O-N 3.2Å
45E49.4Very low54.3Low151 Ų15197.6 Ų97.671%0.70653%0.528SS*.THydrogen-bonded Turntrans-72.4-16.9-173.7-76.2-176.9166.700113.4S42S42-E45 PolarHBondContact O-N 3.39Å
46H54.9Low54.7Low92 Ų9296.4 Ų96.443%0.42652%0.52SS..THydrogen-bonded Turntrans-103.713.1-179.8-68.5-65.7000113.9S44 S48 L61 S62S44-H46 PolarHBondContact O-N 3Å; H46-S48 PolarHBondContact O-N 3.1Å; H46-L61 HydrophobicContact CB-CD2 4.29Å; H46-L61 CarbonylContact O-C 3.53Å; H46-L61 WeakPolarHBondContact O-CA 3.49Å; H46-S62 WeakPolarHBondContact O-CB 3.39Å; H46-S62 PolarHBondContact O-N 2.77Å
47L54.1Low55.1Low72 Ų7294.5 Ų94.538%0.37751%0.513SS..EExtended strand (participates in β ladder)trans-81.8113.8-178.7-66.1175.6000111.8S44 R59 W60 L61S44-L47 PolarHBondContact O-N 3.2Å; L47-R59 HydrophobicContact CD1-CB 4.49Å; L47-W60 CarbonylContact C-O 3.6Å; L47-W60 VanDerWaalsContact CA-O 3.29Å; L47-W60 WeakPolarHBondContact CA-O 3.49Å; L47-L61 HydrophobicContact CD2-CD2 4.38Å
48S58.6Low55.7Low41 Ų4188.2 Ų88.229%0.28749%0.489SS..EExtended strand (participates in β ladder)trans-90.8138.5165.853.90000111H46 W60H46-S48 PolarHBondContact O-N 3.1Å; S48-W60 PolarHBondContact N-O 3.19Å; S48-W60 PolarHBondContact O-N 3.14Å; S48-W60 PolarHBondContact OG-O 3.21Å
49T57.7Low55.9Low65 Ų6585.7 Ų85.740%0.39948%0.475SS..EExtended strand (participates in β ladder)trans-81.2127.1169.8-62.20000109.8Y51 E57 Y58T49-Y51 HydrophobicContact CG2-CE1 4.45Å; T49-Y51 HydrophobicContact CG2-CE2 3.94Å; T49-E57 HydrophobicContact CG2-CG 3.48Å; T49-E57 VanDerWaalsContact CG2-CG 3.48Å; T49-E57 WeakPolarHBondContact CG2-OE1 3.45Å; T49-Y58 CarbonylContact C-O 3.51Å; T49-Y58 WeakPolarHBondContact CA-O 3.3Å
50I60.9Low56.6Low20 Ų2083 Ų8310%0.10346%0.455CS..EExtended strand (participates in β ladder)trans-119.6130.3178.6-57.4160.4000109.1L52 Y58 W60 W65I50-L52 HydrophobicContact CG2-CD2 3.88Å; I50-L52 HydrophobicContact CG2-CG 4.15Å; I50-Y58 PolarHBondContact N-O 2.96Å; I50-Y58 PolarHBondContact O-N 3.12Å; I50-Y58 VanDerWaalsContact O-N 3.13Å; I50-W60 HydrophobicContact CD1-CB 3.78Å; I50-W65 HydrophobicContact CD1-CZ2 4.29Å; I50-W65 HydrophobicContact CG2-CZ2 3.89Å
51Y59.4Low57.2Low176 Ų17681.9 Ų81.969%0.6945%0.449SS*.EExtended strand (participates in β ladder)trans-99.5116.4170.9-59.8-81.9000109.2T49 E57T49-Y51 HydrophobicContact CG2-CE1 4.45Å; T49-Y51 HydrophobicContact CG2-CE2 3.94Å; Y51-E57 HydrophobicContact CE1-CG 4.41Å
52L64.7Low58.1Low15 Ų1580.9 Ų80.98%0.07944%0.444CS..  trans-100.9162.6173.1-61.6179.6000110.3I50 D54 G55 Y58 W65 L94 F103I50-L52 HydrophobicContact CG2-CD2 3.88Å; I50-L52 HydrophobicContact CG2-CG 4.15Å; L52-D54 VanDerWaalsContact CB-OD1 3.27Å; L52-D54 WeakPolarHBondContact CB-OD1 3.35Å; L52-D54 PolarHBondContact O-N 3.46Å; L52-G55 PolarHBondContact O-N 2.92Å; L52-Y58 HydrophobicContact CB-CD2 4.35Å; L52-Y58 HydrophobicContact CB-CE2 3.96Å; L52-Y58 HydrophobicContact CD1-CD2 3.93Å; L52-Y58 HydrophobicContact CD1-CE2 3.75Å; L52-Y58 HydrophobicContact CG-CD2 4.02Å; L52-Y58 HydrophobicContact CG-CE2 4.02Å; L52-W65 HydrophobicContact CD2-CH2 3.67Å; L52-W65 HydrophobicContact CD2-CZ2 3.65Å; L52-L94 HydrophobicContact CD1-CD1 4.03Å; L52-L94 HydrophobicContact CD1-CD2 4.34Å; L52-L94 HydrophobicContact CD2-CD2 4.46Å; L52-F103 HydrophobicContact CD1-CD1 4.19Å; L52-F103 HydrophobicContact CD1-CE1 3.55Å; L52-F103 HydrophobicContact CD1-CZ 3.9Å
53S64.4Low59.2Low131 Ų13183.4 Ų83.492%0.91645%0.447SS*.THydrogen-bonded Turntrans-59.2-4.4-175.663.40000116
54D69.3Low60.3Low55 Ų5580.2 Ų80.229%0.29442%0.42SS..THydrogen-bonded Turntrans-93.78.6175.162.7-39.2000113.7L52 R56 Y58 K98L52-D54 VanDerWaalsContact CB-OD1 3.27Å; L52-D54 WeakPolarHBondContact CB-OD1 3.35Å; L52-D54 PolarHBondContact O-N 3.46Å; D54-R56 PolarHBondContact O-N 3.1Å; D54-R56 IonicContact OD2-CZ 3.29Å; D54-R56 VanDerWaalsContact OD2-CZ 3.29Å; D54-R56 IonicContact OD2-NE 2.89Å; D54-R56 PolarHBondContact OD2-NE 2.81Å; D54-R56 IonicContact OD2-NH2 3.1Å; D54-R56 PolarHBondContact OD2-NH2 2.99Å; D54-Y58 PolarHBondContact OD2-OH 3.3Å; D54-K98 VanDerWaalsContact CG-NZ 3.25Å; D54-K98 IonicContact OD1-NZ 3.13Å; D54-K98 PolarHBondContact OD1-NZ 3.49Å; D54-K98 IonicContact OD2-NZ 3.28Å; D54-K98 PolarHBondContact OD2-NZ 3.46Å
55G65.2Low61.6Low76 Ų7677.1 Ų77.178%0.78440%0.395SS*.SBendtrans71.28.8173.600000114.9L52L52-G55 PolarHBondContact O-N 2.92Å
56R62Low63.1Low120 Ų12072.2 Ų72.245%0.45338%0.376SS..  trans-95.9143.3177.2-69.2-172.2-72-178.5-1.1111.1D54 Y58D54-R56 PolarHBondContact O-N 3.1Å; D54-R56 IonicContact OD2-CZ 3.29Å; D54-R56 VanDerWaalsContact OD2-CZ 3.29Å; D54-R56 IonicContact OD2-NE 2.89Å; D54-R56 PolarHBondContact OD2-NE 2.81Å; D54-R56 IonicContact OD2-NH2 3.1Å; D54-R56 PolarHBondContact OD2-NH2 2.99Å; R56-Y58 HydrophobicContact CB-CE2 3.74Å; R56-Y58 VanDerWaalsContact CZ-OH 3.32Å; R56-Y58 PolarHBondContact NE-OH 2.98Å; R56-Y58 VanDerWaalsContact NE-OH 3.14Å; R56-Y58 PolarHBondContact NH2-OH 2.99Å; R56-Y58 VanDerWaalsContact NH2-OH 3.15Å; R56-Y58 VanDerWaalsContact O-CD2 3.32Å; R56-Y58 WeakPolarHBondContact O-CD2 3.46Å; R56-Y58 WeakPolarHBondContact O-CE2 3.43Å
57E59.9Low64.2Low109 Ų10971 Ų7151%0.50937%0.373SS..EExtended strand (participates in β ladder)trans-84131.2171.9-168.9-172.6160.100110T49 Y51T49-E57 HydrophobicContact CG2-CG 3.48Å; T49-E57 VanDerWaalsContact CG2-CG 3.48Å; T49-E57 WeakPolarHBondContact CG2-OE1 3.45Å; Y51-E57 HydrophobicContact CE1-CG 4.41Å
58Y62.2Low64.8Low5 Ų575 Ų752%0.0239%0.39CS..EExtended strand (participates in β ladder)trans-123.9126.4174.3-58.3-85.2000109.4T49 I50 L52 D54 R56 F103 D104T49-Y58 CarbonylContact C-O 3.51Å; T49-Y58 WeakPolarHBondContact CA-O 3.3Å; I50-Y58 PolarHBondContact N-O 2.96Å; I50-Y58 PolarHBondContact O-N 3.12Å; I50-Y58 VanDerWaalsContact O-N 3.13Å; L52-Y58 HydrophobicContact CB-CD2 4.35Å; L52-Y58 HydrophobicContact CB-CE2 3.96Å; L52-Y58 HydrophobicContact CD1-CD2 3.93Å; L52-Y58 HydrophobicContact CD1-CE2 3.75Å; L52-Y58 HydrophobicContact CG-CD2 4.02Å; L52-Y58 HydrophobicContact CG-CE2 4.02Å; D54-Y58 PolarHBondContact OD2-OH 3.3Å; R56-Y58 HydrophobicContact CB-CE2 3.74Å; R56-Y58 VanDerWaalsContact CZ-OH 3.32Å; R56-Y58 PolarHBondContact NE-OH 2.98Å; R56-Y58 VanDerWaalsContact NE-OH 3.14Å; R56-Y58 PolarHBondContact NH2-OH 2.99Å; R56-Y58 VanDerWaalsContact NH2-OH 3.15Å; R56-Y58 VanDerWaalsContact O-CD2 3.32Å; R56-Y58 WeakPolarHBondContact O-CD2 3.46Å; R56-Y58 WeakPolarHBondContact O-CE2 3.43Å; Y58-F103 AromaticContact CD1-CD1 3.39Å; Y58-F103 HydrophobicContact CD1-CD1 3.39Å; Y58-F103 AromaticContact CD1-CE1 3.74Å; Y58-F103 HydrophobicContact CD1-CE1 3.74Å; Y58-F103 HydrophobicContact CD2-CD1 4.35Å; Y58-F103 HydrophobicContact CD2-CE1 4.03Å; Y58-F103 AromaticContact CE1-CD1 3.57Å; Y58-F103 HydrophobicContact CE1-CD1 3.57Å; Y58-F103 HydrophobicContact CE1-CE1 4.21Å; Y58-F103 AromaticContact CG-CD1 3.78Å; Y58-F103 HydrophobicContact CG-CD1 3.78Å; Y58-F103 AromaticContact CG-CE1 3.6Å; Y58-F103 HydrophobicContact CG-CE1 3.6Å; Y58-D104 HydrophobicContact CD1-CB 4.14Å; Y58-D104 HydrophobicContact CE1-CB 4.19Å
59R56.9Low65.2Low134 Ų13478.5 Ų78.551%0.50641%0.41SS..EExtended strand (participates in β ladder)trans-94.3121.7168.1-64.2-171.6-88.9-149.1-4.8108.5L47 H105 T106L47-R59 HydrophobicContact CD1-CB 4.49Å; R59-H105 PolarHBondContact O-CE1 3.31Å; R59-H105 PolarHBondContact O-NE2 2.89Å; R59-T106 HydrophobicContact CB-CG2 3.77Å; R59-T106 HydrophobicContact CG-CG2 4.18Å
60W62.4Low65.6Low67 Ų6781.4 Ų81.425%0.25442%0.419SS..EExtended strand (participates in β ladder)trans-136.7154.2-173.4-138.7100.8000111.5L47 S48 I50 S62 L64 F103 H105L47-W60 CarbonylContact C-O 3.6Å; L47-W60 VanDerWaalsContact CA-O 3.29Å; L47-W60 WeakPolarHBondContact CA-O 3.49Å; S48-W60 PolarHBondContact N-O 3.19Å; S48-W60 PolarHBondContact O-N 3.14Å; S48-W60 PolarHBondContact OG-O 3.21Å; I50-W60 HydrophobicContact CD1-CB 3.78Å; W60-S62 PolarHBondContact O-N 3.35Å; W60-L64 HydrophobicContact CD2-CB 4.31Å; W60-L64 HydrophobicContact CD2-CD2 3.55Å; W60-L64 HydrophobicContact CD2-CG 4.29Å; W60-L64 HydrophobicContact CE3-CB 3.59Å; W60-L64 HydrophobicContact CE3-CD1 3.94Å; W60-L64 HydrophobicContact CE3-CD2 3.65Å; W60-L64 HydrophobicContact CE3-CG 3.88Å; W60-L64 HydrophobicContact CG-CD2 4.07Å; W60-L64 HydrophobicContact CH2-CB 4.46Å; W60-L64 HydrophobicContact CH2-CD1 3.19Å; W60-L64 HydrophobicContact CH2-CD2 4Å; W60-L64 HydrophobicContact CH2-CG 4.01Å; W60-L64 HydrophobicContact CZ2-CD1 3.8Å; W60-L64 HydrophobicContact CZ2-CD2 3.85Å; W60-L64 HydrophobicContact CZ2-CG 4.36Å; W60-L64 HydrophobicContact CZ3-CB 3.7Å; W60-L64 HydrophobicContact CZ3-CD1 3.27Å; W60-L64 HydrophobicContact CZ3-CD2 3.9Å; W60-L64 HydrophobicContact CZ3-CG 3.75Å; W60-F103 AromaticContact CD1-CZ 3.96Å; W60-H105 WeakPolarHBondContact CA-NE2 3.46Å; W60-H105 AromaticContact CD1-CE1 2.89Å; W60-H105 AromaticContact CD1-ND1 3.53Å; W60-H105 AromaticContact CD1-NE2 3.9Å; W60-H105 AromaticContact CG-CE1 3.35Å; W60-H105 AromaticContact CG-NE2 3.97Å; W60-H105 AromaticContact NE1-CE1 3.31Å; W60-H105 PolarHBondContact NE1-CE1 2.88Å; W60-H105 VanDerWaalsContact NE1-CE1 3.31Å; W60-H105 AromaticContact NE1-ND1 3.52Å
61L56.7Low65.9Low87 Ų8783.6 Ų83.646%0.45543%0.434SS..EExtended strand (participates in β ladder)trans-56.9135.7174.8-68.2169.8000110.1H46 L47H46-L61 HydrophobicContact CB-CD2 4.29Å; H46-L61 CarbonylContact O-C 3.53Å; H46-L61 WeakPolarHBondContact O-CA 3.49Å; L47-L61 HydrophobicContact CD2-CD2 4.38Å
62S59.3Low66.4Low58 Ų5878.8 Ų78.841%0.40643%0.426SS..SBendtrans-56.1142.2-170.556.50000112.2H46 W60H46-S62 WeakPolarHBondContact O-CB 3.39Å; H46-S62 PolarHBondContact O-N 2.77Å; W60-S62 PolarHBondContact O-N 3.35Å
63K68.1Low67.1Low118 Ų11883.9 Ų83.951%0.51344%0.444SS..  trans69.161.6177.8-57.5-179.6177.3178.30115.7Y77K63-Y77 HydrophobicContact CB-CD2 3.85Å; K63-Y77 HydrophobicContact CB-CE2 3.92Å; K63-Y77 WeakPolarHBondContact O-CD2 3.17Å; K63-Y77 WeakPolarHBondContact O-CE2 3.42Å
64L73.2Confident68.1Low7 Ų778 Ų784%0.03740%0.403CS..  trans-84.4-24.2170.4-176.952000113.8W60 L74 C75 F103W60-L64 HydrophobicContact CD2-CB 4.31Å; W60-L64 HydrophobicContact CD2-CD2 3.55Å; W60-L64 HydrophobicContact CD2-CG 4.29Å; W60-L64 HydrophobicContact CE3-CB 3.59Å; W60-L64 HydrophobicContact CE3-CD1 3.94Å; W60-L64 HydrophobicContact CE3-CD2 3.65Å; W60-L64 HydrophobicContact CE3-CG 3.88Å; W60-L64 HydrophobicContact CG-CD2 4.07Å; W60-L64 HydrophobicContact CH2-CB 4.46Å; W60-L64 HydrophobicContact CH2-CD1 3.19Å; W60-L64 HydrophobicContact CH2-CD2 4Å; W60-L64 HydrophobicContact CH2-CG 4.01Å; W60-L64 HydrophobicContact CZ2-CD1 3.8Å; W60-L64 HydrophobicContact CZ2-CD2 3.85Å; W60-L64 HydrophobicContact CZ2-CG 4.36Å; W60-L64 HydrophobicContact CZ3-CB 3.7Å; W60-L64 HydrophobicContact CZ3-CD1 3.27Å; W60-L64 HydrophobicContact CZ3-CD2 3.9Å; W60-L64 HydrophobicContact CZ3-CG 3.75Å; L64-L74 HydrophobicContact CD1-CB 4.12Å; L64-L74 HydrophobicContact CD1-CD2 3.86Å; L64-L74 HydrophobicContact CD1-CG 4.47Å; L64-L74 HydrophobicContact CD2-CD2 3.52Å; L64-L74 HydrophobicContact CG-CD2 3.48Å; L64-L74 VanDerWaalsContact CG-CD2 3.48Å; L64-L74 CarbonylContact O-C 3.43Å; L64-L74 WeakPolarHBondContact O-CA 3.42Å; L64-C75 PolarHBondContact O-N 2.89Å; L64-C75 VanDerWaalsContact O-O 3.11Å; L64-F103 HydrophobicContact CD2-CE2 3.6Å; L64-F103 HydrophobicContact CD2-CZ 3.82Å
65W75.1Confident68.9Low20 Ų2075.7 Ų75.78%0.07639%0.391CS..BIsolated β-bridgetrans-93.4142.3-169.4-53.3103.1000110.8I50 L52 N67 P71 L74 Y77 L94 F103I50-W65 HydrophobicContact CD1-CZ2 4.29Å; I50-W65 HydrophobicContact CG2-CZ2 3.89Å; L52-W65 HydrophobicContact CD2-CH2 3.67Å; L52-W65 HydrophobicContact CD2-CZ2 3.65Å; W65-N67 WeakPolarHBondContact CB-O 3.43Å; W65-N67 PolarHBondContact O-N 3.09Å; W65-P71 HydrophobicContact CD2-CB 3.66Å; W65-P71 HydrophobicContact CE3-CB 3.42Å; W65-P71 VanDerWaalsContact CE3-CB 3.42Å; W65-P71 HydrophobicContact CG-CB 4.36Å; W65-P71 HydrophobicContact CH2-CB 4.05Å; W65-P71 HydrophobicContact CZ2-CB 4.27Å; W65-P71 HydrophobicContact CZ3-CB 3.6Å; W65-L74 HydrophobicContact CE3-CD2 3.98Å; W65-L74 HydrophobicContact CH2-CD2 3.74Å; W65-L74 HydrophobicContact CZ2-CD2 4.4Å; W65-L74 HydrophobicContact CZ3-CD2 3.51Å; W65-Y77 PolarHBondContact O-OH 2.96Å; W65-L94 HydrophobicContact CH2-CD1 4.05Å; W65-L94 HydrophobicContact CH2-CD2 3.7Å; W65-L94 HydrophobicContact CH2-CG 4.48Å; W65-L94 HydrophobicContact CZ3-CD2 3.95Å; W65-F103 HydrophobicContact CH2-CZ 4.44Å; W65-F103 HydrophobicContact CZ2-CZ 4.22Å
66C80.8Confident69.7Low48 Ų4878.3 Ų78.332%0.32438%0.378SS..SBendtrans-66.9-29.7169.2-550000111.5R73 L74 C75C66-R73 HydrophobicContact CB-CB 4.48Å; C66-R73 PolarHBondContact N-O 3.21Å; C66-R73 VanDerWaalsContact N-O 3.16Å; C66-R73 PolarHBondContact SG-O 2.91Å; C66-L74 VanDerWaalsContact SG-C 3.54Å; C66-L74 PolarHBondContact SG-O 3.01Å; C66-L74 VanDerWaalsContact SG-O 3.36Å; C66-C75 WeakPolarHBondContact CA-SG 3.45Å; C66-C75 HydrophobicContact CB-CB 3.96Å; C66-C75 WeakPolarHBondContact CB-SG 3.39Å; C66-C75 WeakPolarHBondContact SG-CB 3.1Å; C66-C75 CovalentContact SG-SG 2.02Å; C66-C75 PolarHBondContact SG-SG 3.4Å
67N76.7Confident70.6Confident67 Ų6775.3 Ų75.336%0.35837%0.367SS..  trans-141.3121.6174.2-176.9-2.2000108.7W65 T69 Q70W65-N67 WeakPolarHBondContact CB-O 3.43Å; W65-N67 PolarHBondContact O-N 3.09Å; N67-T69 VanDerWaalsContact C-N 3.26Å; N67-T69 PolarHBondContact ND2-OG1 3.38Å; N67-T69 VanDerWaalsContact ND2-OG1 3.13Å; N67-T69 PolarHBondContact O-N 3.42Å; N67-T69 PolarHBondContact OD1-N 3.01Å; N67-T69 PolarHBondContact OD1-OG1 3.47Å; N67-Q70 CarbonylContact O-C 3.52Å; N67-Q70 PolarHBondContact O-N 2.87Å
68E68.5Low71.4Confident157 Ų15773.2 Ų73.273%0.73436%0.357SS*.THydrogen-bonded Turntrans-66.1-29.7178-64.6-178178.900112.1
69T66.7Low71.8Confident113 Ų11378 Ų7869%0.69339%0.389SS*.THydrogen-bonded Turntrans-80-19-178.974.10000113.3N67N67-T69 VanDerWaalsContact C-N 3.26Å; N67-T69 PolarHBondContact ND2-OG1 3.38Å; N67-T69 VanDerWaalsContact ND2-OG1 3.13Å; N67-T69 PolarHBondContact O-N 3.42Å; N67-T69 PolarHBondContact OD1-N 3.01Å; N67-T69 PolarHBondContact OD1-OG1 3.47Å
70Q65.2Low72.8Confident127 Ų12780 Ų8059%0.59340%0.404SS*.  trans-141.491.2-179.4-68-176.915.800110.1N67 S72N67-Q70 CarbonylContact O-C 3.52Å; N67-Q70 PolarHBondContact O-N 2.87Å; Q70-S72 PolarHBondContact O-N 3.46Å
71P67Low73.7Confident66 Ų6682 Ų8243%0.42942%0.416SS..THydrogen-bonded Turntrans-75.663.7-179.131.8-35.8000111.6W65W65-P71 HydrophobicContact CD2-CB 3.66Å; W65-P71 HydrophobicContact CE3-CB 3.42Å; W65-P71 VanDerWaalsContact CE3-CB 3.42Å; W65-P71 HydrophobicContact CG-CB 4.36Å; W65-P71 HydrophobicContact CH2-CB 4.05Å; W65-P71 HydrophobicContact CZ2-CB 4.27Å; W65-P71 HydrophobicContact CZ3-CB 3.6Å
72S69.5Low74.8Confident75 Ų7579.7 Ų79.752%0.52441%0.413SS..THydrogen-bonded Turntrans-90.7-28.3175.660.30000112.5Q70Q70-S72 PolarHBondContact O-N 3.46Å
73R81.1Confident76Confident121 Ų12184.8 Ų84.846%0.45744%0.436SS..SBendtrans-138.5135.8-173.3-67.5-176.3175.5159.9-1.1111.9C66 P88C66-R73 HydrophobicContact CB-CB 4.48Å; C66-R73 PolarHBondContact N-O 3.21Å; C66-R73 VanDerWaalsContact N-O 3.16Å; C66-R73 PolarHBondContact SG-O 2.91Å; R73-P88 HydrophobicContact CB-CB 4.47Å
74L85.4Confident76.7Confident8 Ų883 Ų834%0.04243%0.431CS..BIsolated β-bridgetrans-77.2143.1169.4-52.4171.2000108.5L64 W65 C66 F89 T93 L94 L97 F103L64-L74 HydrophobicContact CD1-CB 4.12Å; L64-L74 HydrophobicContact CD1-CD2 3.86Å; L64-L74 HydrophobicContact CD1-CG 4.47Å; L64-L74 HydrophobicContact CD2-CD2 3.52Å; L64-L74 HydrophobicContact CG-CD2 3.48Å; L64-L74 VanDerWaalsContact CG-CD2 3.48Å; L64-L74 CarbonylContact O-C 3.43Å; L64-L74 WeakPolarHBondContact O-CA 3.42Å; W65-L74 HydrophobicContact CE3-CD2 3.98Å; W65-L74 HydrophobicContact CH2-CD2 3.74Å; W65-L74 HydrophobicContact CZ2-CD2 4.4Å; W65-L74 HydrophobicContact CZ3-CD2 3.51Å; C66-L74 VanDerWaalsContact SG-C 3.54Å; C66-L74 PolarHBondContact SG-O 3.01Å; C66-L74 VanDerWaalsContact SG-O 3.36Å; L74-F89 HydrophobicContact CB-CB 4.09Å; L74-F89 HydrophobicContact CB-CD2 3.66Å; L74-F89 HydrophobicContact CB-CE2 4.48Å; L74-F89 HydrophobicContact CB-CG 4.18Å; L74-F89 WeakPolarHBondContact O-CD2 3.29Å; L74-F89 PolarHBondContact O-N 2.96Å; L74-T93 HydrophobicContact CD1-CG2 3.86Å; L74-L94 HydrophobicContact CD1-CB 4.49Å; L74-L94 HydrophobicContact CD2-CD1 4.39Å; L74-L97 HydrophobicContact CD1-CD1 3.56Å; L74-F103 HydrophobicContact CD2-CE2 4.38Å
75C85.5Confident77.2Confident7 Ų792.1 Ų92.15%0.04747%0.465CS..  trans-129.9153.3174-92.70000109.6L64 C66 Y77L64-C75 PolarHBondContact O-N 2.89Å; L64-C75 VanDerWaalsContact O-O 3.11Å; C66-C75 WeakPolarHBondContact CA-SG 3.45Å; C66-C75 HydrophobicContact CB-CB 3.96Å; C66-C75 WeakPolarHBondContact CB-SG 3.39Å; C66-C75 WeakPolarHBondContact SG-CB 3.1Å; C66-C75 CovalentContact SG-SG 2.02Å; C66-C75 PolarHBondContact SG-SG 3.4Å; C75-Y77 HydrophobicContact CB-CE2 3.89Å
76Y82.1Confident77.6Confident130 Ų13092.5 Ų92.551%0.5148%0.475SS..  trans-110.7135.2169.2172.7-99.7000108.3P79 G86Y76-P79 WeakPolarHBondContact OH-CD 3.33Å; Y76-G86 PolarHBondContact O-N 3.45Å
77Y80.7Confident77.9Confident58 Ų58101.2 Ų101.223%0.22750%0.501CS..BIsolated β-bridgetrans-113.6145.2174-61.3-93.9000108.6K63 W65 C75 G82 I84 R85K63-Y77 HydrophobicContact CB-CD2 3.85Å; K63-Y77 HydrophobicContact CB-CE2 3.92Å; K63-Y77 WeakPolarHBondContact O-CD2 3.17Å; K63-Y77 WeakPolarHBondContact O-CE2 3.42Å; W65-Y77 PolarHBondContact O-OH 2.96Å; C75-Y77 HydrophobicContact CB-CE2 3.89Å; Y77-G82 WeakPolarHBondContact CD1-O 3.48Å; Y77-I84 WeakPolarHBondContact CA-O 3.42Å; Y77-R85 HydrophobicContact CD1-CB 4.34Å; Y77-R85 HydrophobicContact CE1-CB 4.35Å
78H75.7Confident78.4Confident65 Ų65101.5 Ų101.530%0.30151%0.507SS..  trans-61.5134.9176.7-173.3-96000109.9E80 E81 I84H78-E80 VanDerWaalsContact C-N 3.3Å; H78-E80 PolarHBondContact ND1-N 2.96Å; H78-E80 PolarHBondContact O-N 3.2Å; H78-E81 HydrophobicContact CB-CB 4.24Å; H78-E81 WeakPolarHBondContact CB-O 3.22Å; H78-E81 PolarHBondContact ND1-N 2.93Å; H78-E81 VanDerWaalsContact ND1-N 3.15Å; H78-E81 CarbonylContact O-C 3.49Å; H78-E81 PolarHBondContact O-N 3.4Å; H78-I84 HydrophobicContact CB-CB 3.7Å; H78-I84 HydrophobicContact CB-CG2 4.02Å; H78-I84 PolarHBondContact N-O 3.43Å
79P72Confident79.2Confident105 Ų10598.8 Ų98.868%0.68249%0.492SS*.SBendtrans-62.3-35.7-172.5-23.935000113.4Y76Y76-P79 WeakPolarHBondContact OH-CD 3.33Å
80E77.6Confident80.2Confident175 Ų17599.3 Ų99.382%0.81849%0.487SS*.SBendtrans-96.1-21.9-177.7-57.8175.5176.200112.4H78H78-E80 VanDerWaalsContact C-N 3.3Å; H78-E80 PolarHBondContact ND1-N 2.96Å; H78-E80 PolarHBondContact O-N 3.2Å
81E81.8Confident81.1Confident110 Ų11098.8 Ų98.851%0.51448%0.484SS..  trans-130.585.4-172.8-69.8-170.4-140.900110.4H78 N83 I84H78-E81 HydrophobicContact CB-CB 4.24Å; H78-E81 WeakPolarHBondContact CB-O 3.22Å; H78-E81 PolarHBondContact ND1-N 2.93Å; H78-E81 VanDerWaalsContact ND1-N 3.15Å; H78-E81 CarbonylContact O-C 3.49Å; H78-E81 PolarHBondContact O-N 3.4Å; E81-N83 PolarHBondContact O-N 3.42Å; E81-I84 HydrophobicContact CB-CD1 3.98Å; E81-I84 HydrophobicContact CB-CG1 4.1Å; E81-I84 HydrophobicContact CG-CD1 4.46Å; E81-I84 PolarHBondContact O-N 3.25Å; E81-I84 WeakPolarHBondContact OE2-CD1 3.5Å
82G78.6Confident81.9Confident38 Ų3898.1 Ų98.139%0.39248%0.477SS..THydrogen-bonded Turntrans-59.4-11.3-175.600000115.9Y77Y77-G82 WeakPolarHBondContact CD1-O 3.48Å
83N84Confident82.6Confident166 Ų16696 Ų9689%0.88846%0.461SS*.THydrogen-bonded Turntrans-82.8-20.8175.2-66.9-24.6000113.1E81 R85E81-N83 PolarHBondContact O-N 3.42Å; N83-R85 PolarHBondContact O-N 2.89Å
84I83.1Confident82.6Confident81 Ų8191.5 Ų91.542%0.41545%0.446SS..  trans-82.7112.7175-61.8179.1000108.1Y77 H78 E81Y77-I84 WeakPolarHBondContact CA-O 3.42Å; H78-I84 HydrophobicContact CB-CB 3.7Å; H78-I84 HydrophobicContact CB-CG2 4.02Å; H78-I84 PolarHBondContact N-O 3.43Å; E81-I84 HydrophobicContact CB-CD1 3.98Å; E81-I84 HydrophobicContact CB-CG1 4.1Å; E81-I84 HydrophobicContact CG-CD1 4.46Å; E81-I84 PolarHBondContact O-N 3.25Å; E81-I84 WeakPolarHBondContact OE2-CD1 3.5Å
85R85Confident82.3Confident198 Ų19898.9 Ų98.975%0.74747%0.473SS*.BIsolated β-bridgetrans-105.6135175.870.3-176.8-177.6-175.4-1.5111.4Y77 N83Y77-R85 HydrophobicContact CD1-CB 4.34Å; Y77-R85 HydrophobicContact CE1-CB 4.35Å; N83-R85 PolarHBondContact O-N 2.89Å
86G83.6Confident81.9Confident27 Ų27102.8 Ų102.828%0.27849%0.493SS..PPolyproline II helixtrans-70.9171.6167.900000112.2Y76Y76-G86 PolarHBondContact O-N 3.45Å
87R85.4Confident81.9Confident232 Ų23298.4 Ų98.488%0.87548%0.479SS*.PPolyproline II helixtrans-63.4136.5170.6-69.3-174.4-175.3-179.71.8109.5
88P87.3Confident81.7Confident73 Ų7398 Ų9847%0.47448%0.478SS..PPolyproline II helixtrans-56141.3173.9-24.834000111.2R73R73-P88 HydrophobicContact CB-CB 4.47Å
89F86.7Confident81.7Confident99 Ų99103.4 Ų103.443%0.43450%0.5SS..PPolyproline II helixtrans-68155.7170.6-68.1-91.1000110.4L74 T93L74-F89 HydrophobicContact CB-CB 4.09Å; L74-F89 HydrophobicContact CB-CD2 3.66Å; L74-F89 HydrophobicContact CB-CE2 4.48Å; L74-F89 HydrophobicContact CB-CG 4.18Å; L74-F89 WeakPolarHBondContact O-CD2 3.29Å; L74-F89 PolarHBondContact O-N 2.96Å; F89-T93 HydrophobicContact CB-CG2 4.18Å; F89-T93 HydrophobicContact CD1-CG2 4.27Å; F89-T93 HydrophobicContact CG-CG2 4.43Å
90H86.8Confident82Confident124 Ų124103.6 Ų103.657%0.57450%0.495SS*.PPolyproline II helixtrans-55.1145.3174.1-163.3-79.1000111N92 T93H90-N92 PolarHBondContact ND1-N 2.85Å; H90-N92 PolarHBondContact O-N 2.92Å; H90-N92 VanDerWaalsContact O-N 3.16Å; H90-T93 VanDerWaalsContact O-CB 3.22Å; H90-T93 WeakPolarHBondContact O-CB 3.4Å; H90-T93 PolarHBondContact O-N 2.81Å; H90-T93 PolarHBondContact O-OG1 2.94Å
91E83.9Confident81.7Confident116 Ų11699.2 Ų99.254%0.54248%0.477SS..THydrogen-bonded Turntrans-56-35.8-176.963.1-172-167.900113.2T93E91-T93 VanDerWaalsContact C-N 3.26Å; E91-T93 PolarHBondContact O-N 2.79Å
92N83.4Confident81.3Confident52 Ų5298.2 Ų98.228%0.27848%0.475SS..THydrogen-bonded Turntrans-73.1-9.7177.4-73-44.5000114.8H90 L94 R95 L96H90-N92 PolarHBondContact ND1-N 2.85Å; H90-N92 PolarHBondContact O-N 2.92Å; H90-N92 VanDerWaalsContact O-N 3.16Å; N92-L94 PolarHBondContact O-N 3.27Å; N92-R95 WeakPolarHBondContact O-CB 3.32Å; N92-R95 PolarHBondContact O-N 2.85Å; N92-R95 PolarHBondContact OD1-NH2 3.19Å; N92-L96 WeakPolarHBondContact O-CG 3.43Å; N92-L96 PolarHBondContact O-N 3.09Å
93T84.3Confident80.8Confident31 Ų3196.6 Ų96.619%0.1946%0.457CS..Hα-helixtrans-61.2-44.8-175.4-61.90000111.5L74 F89 H90 E91 R95 L96 L97L74-T93 HydrophobicContact CD1-CG2 3.86Å; F89-T93 HydrophobicContact CB-CG2 4.18Å; F89-T93 HydrophobicContact CD1-CG2 4.27Å; F89-T93 HydrophobicContact CG-CG2 4.43Å; H90-T93 VanDerWaalsContact O-CB 3.22Å; H90-T93 WeakPolarHBondContact O-CB 3.4Å; H90-T93 PolarHBondContact O-N 2.81Å; H90-T93 PolarHBondContact O-OG1 2.94Å; E91-T93 VanDerWaalsContact C-N 3.26Å; E91-T93 PolarHBondContact O-N 2.79Å; T93-R95 VanDerWaalsContact C-N 3.3Å; T93-R95 PolarHBondContact O-N 2.86Å; T93-L96 WeakPolarHBondContact O-CB 3.33Å; T93-L96 PolarHBondContact O-N 2.82Å; T93-L96 VanDerWaalsContact O-N 3.12Å; T93-L97 HydrophobicContact CG2-CD1 3.99Å; T93-L97 HydrophobicContact CG2-CG 4.15Å; T93-L97 WeakPolarHBondContact O-CG 3.39Å; T93-L97 PolarHBondContact O-N 2.82Å
94L80.7Confident80Confident26 Ų2691 Ų9114%0.13643%0.427CS..Hα-helixtrans-59.8-42.8178.4179.862.4000111.6L52 W65 L74 N92 L96 L97 K98 F103L52-L94 HydrophobicContact CD1-CD1 4.03Å; L52-L94 HydrophobicContact CD1-CD2 4.34Å; L52-L94 HydrophobicContact CD2-CD2 4.46Å; W65-L94 HydrophobicContact CH2-CD1 4.05Å; W65-L94 HydrophobicContact CH2-CD2 3.7Å; W65-L94 HydrophobicContact CH2-CG 4.48Å; W65-L94 HydrophobicContact CZ3-CD2 3.95Å; L74-L94 HydrophobicContact CD1-CB 4.49Å; L74-L94 HydrophobicContact CD2-CD1 4.39Å; N92-L94 PolarHBondContact O-N 3.27Å; L94-L96 VanDerWaalsContact C-N 3.33Å; L94-L96 PolarHBondContact O-N 3.36Å; L94-L97 PolarHBondContact O-N 2.89Å; L94-K98 WeakPolarHBondContact O-CG 3.41Å; L94-K98 PolarHBondContact O-N 3.03Å; L94-F103 HydrophobicContact CD1-CD2 3.7Å; L94-F103 HydrophobicContact CD1-CE2 3.47Å; L94-F103 VanDerWaalsContact CD1-CE2 3.47Å; L94-F103 HydrophobicContact CD1-CG 4.32Å; L94-F103 HydrophobicContact CD1-CZ 3.95Å
95R80.3Confident79.1Confident164 Ų16487.9 Ų87.962%0.61941%0.41SS*.Hα-helixtrans-60.1-43.5175.7-175.2179.968.1170.20.1111.5N92 T93 K99N92-R95 WeakPolarHBondContact O-CB 3.32Å; N92-R95 PolarHBondContact O-N 2.85Å; N92-R95 PolarHBondContact OD1-NH2 3.19Å; T93-R95 VanDerWaalsContact C-N 3.3Å; T93-R95 PolarHBondContact O-N 2.86Å; R95-K99 WeakPolarHBondContact O-CB 3.48Å; R95-K99 PolarHBondContact O-N 3.14Å
96L77.3Confident77.9Confident88 Ų8881 Ų8146%0.46139%0.391SS..Hα-helixtrans-65.2-44.8176.8-70.5169.9000111.8N92 T93 L94 K98 K99 L100N92-L96 WeakPolarHBondContact O-CG 3.43Å; N92-L96 PolarHBondContact O-N 3.09Å; T93-L96 WeakPolarHBondContact O-CB 3.33Å; T93-L96 PolarHBondContact O-N 2.82Å; T93-L96 VanDerWaalsContact O-N 3.12Å; L94-L96 VanDerWaalsContact C-N 3.33Å; L94-L96 PolarHBondContact O-N 3.36Å; L96-K98 VanDerWaalsContact C-N 3.32Å; L96-K98 PolarHBondContact O-N 3.47Å; L96-K99 PolarHBondContact O-N 2.88Å; L96-L100 WeakPolarHBondContact O-CB 3.48Å; L96-L100 VanDerWaalsContact O-CG 3.3Å; L96-L100 WeakPolarHBondContact O-CG 3.37Å; L96-L100 PolarHBondContact O-N 2.86Å
97L81.3Confident77Confident39 Ų3988.8 Ų88.820%0.20442%0.417CS..Hα-helixtrans-61.8-40.3177.8-67.8175.6000111.9L74 T93 L94 N101 I102 F103L74-L97 HydrophobicContact CD1-CD1 3.56Å; T93-L97 HydrophobicContact CG2-CD1 3.99Å; T93-L97 HydrophobicContact CG2-CG 4.15Å; T93-L97 WeakPolarHBondContact O-CG 3.39Å; T93-L97 PolarHBondContact O-N 2.82Å; L94-L97 PolarHBondContact O-N 2.89Å; L97-N101 CarbonylContact O-C 3.36Å; L97-N101 PolarHBondContact O-N 3.48Å; L97-N101 VanDerWaalsContact O-N 3.15Å; L97-I102 HydrophobicContact CD2-CB 4.02Å; L97-I102 HydrophobicContact CD2-CD1 4.45Å; L97-I102 HydrophobicContact CD2-CG2 3.95Å; L97-I102 PolarHBondContact O-N 3.26Å; L97-F103 HydrophobicContact CB-CB 4.12Å; L97-F103 HydrophobicContact CB-CD2 4.27Å; L97-F103 HydrophobicContact CD1-CD2 4.16Å; L97-F103 PolarHBondContact O-N 3.16Å
98K76.4Confident75.9Confident48 Ų4883.5 Ų83.521%0.20940%0.397CS..Hα-helixtrans-62.7-46.8172.3-74.3-174177.7-161.50111.7D54 L94 L96 L100 N101D54-K98 VanDerWaalsContact CG-NZ 3.25Å; D54-K98 IonicContact OD1-NZ 3.13Å; D54-K98 PolarHBondContact OD1-NZ 3.49Å; D54-K98 IonicContact OD2-NZ 3.28Å; D54-K98 PolarHBondContact OD2-NZ 3.46Å; L94-K98 WeakPolarHBondContact O-CG 3.41Å; L94-K98 PolarHBondContact O-N 3.03Å; L96-K98 VanDerWaalsContact C-N 3.32Å; L96-K98 PolarHBondContact O-N 3.47Å; K98-L100 VanDerWaalsContact C-N 3.35Å; K98-L100 PolarHBondContact O-N 3.38Å; K98-N101 WeakPolarHBondContact O-CA 3.26Å; K98-N101 PolarHBondContact O-N 3.28Å
99K77.1Confident74.8Confident179 Ų17988.5 Ų88.578%0.77841%0.408SS*.Hα-helixtrans-61.7-41179-177.5176.5179.4178.70112.4R95 L96 N101R95-K99 WeakPolarHBondContact O-CB 3.48Å; R95-K99 PolarHBondContact O-N 3.14Å; L96-K99 PolarHBondContact O-N 2.88Å; K99-N101 PolarHBondContact O-N 2.85Å
100L77.5Confident74Confident109 Ų10986.8 Ų86.857%0.57141%0.405SS*.THydrogen-bonded Turntrans-790.5177.2-63.2173.4000112.5L96 K98 I102L96-L100 WeakPolarHBondContact O-CB 3.48Å; L96-L100 VanDerWaalsContact O-CG 3.3Å; L96-L100 WeakPolarHBondContact O-CG 3.37Å; L96-L100 PolarHBondContact O-N 2.86Å; K98-L100 VanDerWaalsContact C-N 3.35Å; K98-L100 PolarHBondContact O-N 3.38Å; L100-I102 HydrophobicContact CB-CD1 3.53Å; L100-I102 HydrophobicContact CB-CG1 3.67Å; L100-I102 HydrophobicContact CD1-CD1 3.68Å; L100-I102 HydrophobicContact CG-CD1 4.25Å; L100-I102 PolarHBondContact O-N 2.97Å; L100-I102 VanDerWaalsContact O-N 3.09Å
101N72.1Confident73.4Confident83 Ų8385.5 Ų85.544%0.44440%0.402SS..THydrogen-bonded Turntrans55.519.8-172.9-163.430.3000113.3L97 K98 K99 F103 R108L97-N101 CarbonylContact O-C 3.36Å; L97-N101 PolarHBondContact O-N 3.48Å; L97-N101 VanDerWaalsContact O-N 3.15Å; K98-N101 WeakPolarHBondContact O-CA 3.26Å; K98-N101 PolarHBondContact O-N 3.28Å; K99-N101 PolarHBondContact O-N 2.85Å; N101-F103 VanDerWaalsContact C-N 3.3Å; N101-F103 PolarHBondContact O-N 3.12Å; N101-R108 PolarHBondContact ND2-NH2 2.8Å; N101-R108 PolarHBondContact O-NH1 2.89Å; N101-R108 PolarHBondContact O-NH2 2.85Å
102I72.1Confident72.9Confident90 Ų9083.4 Ų83.446%0.46240%0.399SS..  trans-76-22.7-176.3-63.3169.5000111.2L97 L100L97-I102 HydrophobicContact CD2-CB 4.02Å; L97-I102 HydrophobicContact CD2-CD1 4.45Å; L97-I102 HydrophobicContact CD2-CG2 3.95Å; L97-I102 PolarHBondContact O-N 3.26Å; L100-I102 HydrophobicContact CB-CD1 3.53Å; L100-I102 HydrophobicContact CB-CG1 3.67Å; L100-I102 HydrophobicContact CD1-CD1 3.68Å; L100-I102 HydrophobicContact CG-CD1 4.25Å; L100-I102 PolarHBondContact O-N 2.97Å; L100-I102 VanDerWaalsContact O-N 3.09Å
103F68.7Low72.6Confident3 Ų386 Ų861%0.01341%0.409CS..SBendtrans-73.4-30.5-170.8-164.4-95.3000115.1L52 Y58 W60 L64 W65 L74 L94 L97 N101 H105L52-F103 HydrophobicContact CD1-CD1 4.19Å; L52-F103 HydrophobicContact CD1-CE1 3.55Å; L52-F103 HydrophobicContact CD1-CZ 3.9Å; Y58-F103 AromaticContact CD1-CD1 3.39Å; Y58-F103 HydrophobicContact CD1-CD1 3.39Å; Y58-F103 AromaticContact CD1-CE1 3.74Å; Y58-F103 HydrophobicContact CD1-CE1 3.74Å; Y58-F103 HydrophobicContact CD2-CD1 4.35Å; Y58-F103 HydrophobicContact CD2-CE1 4.03Å; Y58-F103 AromaticContact CE1-CD1 3.57Å; Y58-F103 HydrophobicContact CE1-CD1 3.57Å; Y58-F103 HydrophobicContact CE1-CE1 4.21Å; Y58-F103 AromaticContact CG-CD1 3.78Å; Y58-F103 HydrophobicContact CG-CD1 3.78Å; Y58-F103 AromaticContact CG-CE1 3.6Å; Y58-F103 HydrophobicContact CG-CE1 3.6Å; W60-F103 AromaticContact CD1-CZ 3.96Å; L64-F103 HydrophobicContact CD2-CE2 3.6Å; L64-F103 HydrophobicContact CD2-CZ 3.82Å; W65-F103 HydrophobicContact CH2-CZ 4.44Å; W65-F103 HydrophobicContact CZ2-CZ 4.22Å; L74-F103 HydrophobicContact CD2-CE2 4.38Å; L94-F103 HydrophobicContact CD1-CD2 3.7Å; L94-F103 HydrophobicContact CD1-CE2 3.47Å; L94-F103 VanDerWaalsContact CD1-CE2 3.47Å; L94-F103 HydrophobicContact CD1-CG 4.32Å; L94-F103 HydrophobicContact CD1-CZ 3.95Å; L97-F103 HydrophobicContact CB-CB 4.12Å; L97-F103 HydrophobicContact CB-CD2 4.27Å; L97-F103 HydrophobicContact CD1-CD2 4.16Å; L97-F103 PolarHBondContact O-N 3.16Å; N101-F103 VanDerWaalsContact C-N 3.3Å; N101-F103 PolarHBondContact O-N 3.12Å; F103-H105 PolarHBondContact O-ND1 3.39Å
104D67.7Low72.5Confident48 Ų4890.2 Ų90.226%0.25743%0.425SS..  trans-89.8111.8172.5179.114.1000109.8Y58 T106 R108Y58-D104 HydrophobicContact CD1-CB 4.14Å; Y58-D104 HydrophobicContact CE1-CB 4.19Å; D104-T106 WeakPolarHBondContact OD1-CB 3.37Å; D104-T106 PolarHBondContact OD1-N 2.75Å; D104-T106 VanDerWaalsContact OD1-N 3.11Å; D104-T106 PolarHBondContact OD1-OG1 2.82Å; D104-R108 PolarHBondContact O-NH1 3Å; D104-R108 VanDerWaalsContact O-NH1 3.11Å
105H63.1Low72.4Confident16 Ų1690.2 Ų90.27%0.07442%0.423CS..  trans-116.64.6-177.953.1-78.4000113.4R59 W60 F103 K107 R108 Y109R59-H105 PolarHBondContact O-CE1 3.31Å; R59-H105 PolarHBondContact O-NE2 2.89Å; W60-H105 WeakPolarHBondContact CA-NE2 3.46Å; W60-H105 AromaticContact CD1-CE1 2.89Å; W60-H105 AromaticContact CD1-ND1 3.53Å; W60-H105 AromaticContact CD1-NE2 3.9Å; W60-H105 AromaticContact CG-CE1 3.35Å; W60-H105 AromaticContact CG-NE2 3.97Å; W60-H105 AromaticContact NE1-CE1 3.31Å; W60-H105 PolarHBondContact NE1-CE1 2.88Å; W60-H105 VanDerWaalsContact NE1-CE1 3.31Å; W60-H105 AromaticContact NE1-ND1 3.52Å; F103-H105 PolarHBondContact O-ND1 3.39Å; H105-K107 PolarHBondContact O-N 3.49Å; H105-K107 VanDerWaalsContact O-N 3.12Å; H105-R108 PolarHBondContact O-N 3.32Å; H105-Y109 HydrophobicContact CB-CD2 3.5Å; H105-Y109 HydrophobicContact CB-CE2 3.23Å; H105-Y109 AromaticContact CD2-CD2 3.52Å; H105-Y109 AromaticContact CD2-CE2 3.34Å; H105-Y109 WeakPolarHBondContact CD2-CE2 3.35Å; H105-Y109 AromaticContact CG-CD2 3.81Å; H105-Y109 AromaticContact CG-CE2 3.39Å; H105-Y109 PolarHBondContact O-N 2.83Å
106T61.2Low72.6Confident55 Ų5585 Ų8534%0.33741%0.408SS..THydrogen-bonded Turntrans-57.8-27.9177.757.80000113.4R59 D104R59-T106 HydrophobicContact CB-CG2 3.77Å; R59-T106 HydrophobicContact CG-CG2 4.18Å; D104-T106 WeakPolarHBondContact OD1-CB 3.37Å; D104-T106 PolarHBondContact OD1-N 2.75Å; D104-T106 VanDerWaalsContact OD1-N 3.11Å; D104-T106 PolarHBondContact OD1-OG1 2.82Å
107K63.3Low72.9Confident189 Ų18986.4 Ų86.482%0.82242%0.42SS*.THydrogen-bonded Turntrans-105.4-4.7178.3-60.6-177.4-178.5179.40114H105H105-K107 PolarHBondContact O-N 3.49Å; H105-K107 VanDerWaalsContact O-N 3.12Å
108R62.6Low73Confident122 Ų12290.6 Ų90.646%0.4644%0.439SS..THydrogen-bonded Turntrans-102.1-31.4-173.9-70.2-149.5-174.697.9-1.5114N101 D104 H105 V110N101-R108 PolarHBondContact ND2-NH2 2.8Å; N101-R108 PolarHBondContact O-NH1 2.89Å; N101-R108 PolarHBondContact O-NH2 2.85Å; D104-R108 PolarHBondContact O-NH1 3Å; D104-R108 VanDerWaalsContact O-NH1 3.11Å; H105-R108 PolarHBondContact O-N 3.32Å; R108-V110 PolarHBondContact O-N 3.28Å
109Y64.9Low73.3Confident177 Ų17791.2 Ų91.269%0.69444%0.444SS*.PPolyproline II helixtrans-79.2119.6174.3-67.9-64.5000108.9H105H105-Y109 HydrophobicContact CB-CD2 3.5Å; H105-Y109 HydrophobicContact CB-CE2 3.23Å; H105-Y109 AromaticContact CD2-CD2 3.52Å; H105-Y109 AromaticContact CD2-CE2 3.34Å; H105-Y109 WeakPolarHBondContact CD2-CE2 3.35Å; H105-Y109 AromaticContact CG-CD2 3.81Å; H105-Y109 AromaticContact CG-CE2 3.39Å; H105-Y109 PolarHBondContact O-N 2.83Å
110V69Low73.6Confident64 Ų6488.8 Ų88.839%0.38844%0.436SS..PPolyproline II helixtrans-91.3137.6167.4-62.80000107.4R108 P112 Y115 L208R108-V110 PolarHBondContact O-N 3.28Å; V110-P112 VanDerWaalsContact O-CD 3.27Å; V110-P112 WeakPolarHBondContact O-CD 3.27Å; V110-Y115 HydrophobicContact CB-CD2 3.8Å; V110-Y115 HydrophobicContact CB-CG 4.09Å; V110-Y115 HydrophobicContact CG1-CD2 3.74Å; V110-Y115 HydrophobicContact CG1-CE2 4.34Å; V110-Y115 HydrophobicContact CG2-CD2 3.83Å; V110-Y115 HydrophobicContact CG2-CG 3.8Å; V110-L208 HydrophobicContact CG1-CD2 4.49Å; V110-L208 HydrophobicContact CG2-CD2 3.97Å
111D74.9Confident73.9Confident96 Ų9683.8 Ų83.851%0.51341%0.41SS..PPolyproline II helixtrans-62.6119.4162.7177.6-30.5000106.9E113 K114 Y115D111-E113 VanDerWaalsContact C-N 3.26Å; D111-E113 PolarHBondContact O-N 3.29Å; D111-E113 WeakPolarHBondContact OD1-CB 3.34Å; D111-E113 PolarHBondContact OD1-N 3.14Å; D111-K114 HydrophobicContact CB-CB 3.95Å; D111-K114 PolarHBondContact O-N 3.08Å; D111-K114 PolarHBondContact OD1-N 2.76Å; D111-Y115 WeakPolarHBondContact O-CB 3.22Å; D111-Y115 PolarHBondContact O-N 3.32Å
112P73.1Confident74.5Confident72 Ų7281.7 Ų81.747%0.46840%0.398SS..Hα-helixtrans-58.2-35.9-178.2-25.235.4000113.2V110 L116V110-P112 VanDerWaalsContact O-CD 3.27Å; V110-P112 WeakPolarHBondContact O-CD 3.27Å; P112-L116 WeakPolarHBondContact O-CB 3.25Å; P112-L116 WeakPolarHBondContact O-CD1 3.41Å; P112-L116 WeakPolarHBondContact O-CG 3.49Å; P112-L116 PolarHBondContact O-N 2.88Å
113E78.4Confident75.4Confident107 Ų10777.9 Ų77.950%0.538%0.378SS..Hα-helixtrans-67.4-52.7-179.9-68.1-173.2177.800110.7R37 D111 Y115 L116 T117R37-E113 IonicContact CZ-OE1 3.78Å; R37-E113 VanDerWaalsContact CZ-OE1 3.28Å; R37-E113 IonicContact NE-OE1 3.52Å; R37-E113 PolarHBondContact NE-OE1 3.28Å; R37-E113 VanDerWaalsContact NE-OE1 3.13Å; R37-E113 IonicContact NH2-OE1 2.8Å; R37-E113 PolarHBondContact NH2-OE1 3.39Å; D111-E113 VanDerWaalsContact C-N 3.26Å; D111-E113 PolarHBondContact O-N 3.29Å; D111-E113 WeakPolarHBondContact OD1-CB 3.34Å; D111-E113 PolarHBondContact OD1-N 3.14Å; E113-Y115 VanDerWaalsContact C-N 3.3Å; E113-Y115 PolarHBondContact O-N 3.35Å; E113-L116 PolarHBondContact O-N 3.42Å; E113-T117 WeakPolarHBondContact O-CG2 3.46Å; E113-T117 PolarHBondContact O-N 3.25Å; E113-T117 PolarHBondContact O-OG1 2.92Å
114K81.3Confident76.6Confident119 Ų11977.8 Ų77.852%0.51738%0.378SS..Hα-helixtrans-59-44.7175.9-173.5178.5176.9178.70111.3D111 L116 T117 E118D111-K114 HydrophobicContact CB-CB 3.95Å; D111-K114 PolarHBondContact O-N 3.08Å; D111-K114 PolarHBondContact OD1-N 2.76Å; K114-L116 PolarHBondContact O-N 3.39Å; K114-T117 WeakPolarHBondContact CA-OG1 3.15Å; K114-T117 PolarHBondContact O-N 3.47Å; K114-T117 PolarHBondContact O-OG1 3.48Å; K114-E118 VanDerWaalsContact CE-CD 3.49Å; K114-E118 WeakPolarHBondContact CE-OE1 3.46Å; K114-E118 WeakPolarHBondContact CE-OE2 3.45Å; K114-E118 HydrophobicContact CG-CG 4.48Å; K114-E118 IonicContact NZ-OE1 2.82Å; K114-E118 WeakPolarHBondContact O-CG 3.44Å; K114-E118 PolarHBondContact O-N 2.81Å
115Y78.9Confident77.9Confident26 Ų2675.9 Ų75.910%0.10237%0.368CS..Hα-helixtrans-60.2-47.9-180-171.9-93.7000111.6V110 D111 E113 T117 E118 N119 P121 L208 F210V110-Y115 HydrophobicContact CB-CD2 3.8Å; V110-Y115 HydrophobicContact CB-CG 4.09Å; V110-Y115 HydrophobicContact CG1-CD2 3.74Å; V110-Y115 HydrophobicContact CG1-CE2 4.34Å; V110-Y115 HydrophobicContact CG2-CD2 3.83Å; V110-Y115 HydrophobicContact CG2-CG 3.8Å; D111-Y115 WeakPolarHBondContact O-CB 3.22Å; D111-Y115 PolarHBondContact O-N 3.32Å; E113-Y115 VanDerWaalsContact C-N 3.3Å; E113-Y115 PolarHBondContact O-N 3.35Å; Y115-T117 PolarHBondContact O-N 3.3Å; Y115-E118 PolarHBondContact O-N 2.88Å; Y115-N119 HydrophobicContact CD1-CB 4.12Å; Y115-N119 HydrophobicContact CD2-CB 4.29Å; Y115-N119 WeakPolarHBondContact CD2-ND2 3.45Å; Y115-N119 HydrophobicContact CE1-CB 3.59Å; Y115-N119 HydrophobicContact CE2-CB 3.79Å; Y115-N119 VanDerWaalsContact CE2-ND2 3.34Å; Y115-N119 WeakPolarHBondContact CE2-ND2 3.43Å; Y115-N119 HydrophobicContact CG-CB 4.42Å; Y115-N119 VanDerWaalsContact CZ-CG 3.49Å; Y115-N119 WeakPolarHBondContact O-CA 3.45Å; Y115-N119 VanDerWaalsContact O-CB 3.25Å; Y115-N119 WeakPolarHBondContact O-CB 3.35Å; Y115-N119 PolarHBondContact O-N 3.34Å; Y115-N119 PolarHBondContact O-ND2 2.9Å; Y115-N119 VanDerWaalsContact O-ND2 3.08Å; Y115-N119 WeakPolarHBondContact OH-CB 3.46Å; Y115-P121 HydrophobicContact CE1-CB 4.46Å; Y115-L208 HydrophobicContact CD1-CD2 4.23Å; Y115-L208 HydrophobicContact CD2-CD2 4.01Å; Y115-L208 HydrophobicContact CE1-CB 4.33Å; Y115-L208 HydrophobicContact CE1-CD2 3.73Å; Y115-L208 HydrophobicContact CE2-CB 4.27Å; Y115-L208 HydrophobicContact CE2-CD2 3.49Å; Y115-L208 VanDerWaalsContact CE2-CD2 3.49Å; Y115-L208 HydrophobicContact CG-CD2 4.37Å; Y115-L208 WeakPolarHBondContact OH-CB 3.33Å; Y115-F210 AromaticContact CD1-CE2 3.74Å; Y115-F210 HydrophobicContact CD1-CE2 3.74Å; Y115-F210 AromaticContact CD1-CZ 3.99Å; Y115-F210 HydrophobicContact CD1-CZ 3.99Å; Y115-F210 AromaticContact CE1-CE2 3.79Å; Y115-F210 HydrophobicContact CE1-CE2 3.79Å; Y115-F210 HydrophobicContact CE1-CZ 4.46Å
116L83.6Confident79.5Confident55 Ų5575.9 Ų75.929%0.28837%0.371SS..Hα-helixtrans-67.4-23.4179.7-69.2173.1000113P112 E113 K114 P121 F146 F210P112-L116 WeakPolarHBondContact O-CB 3.25Å; P112-L116 WeakPolarHBondContact O-CD1 3.41Å; P112-L116 WeakPolarHBondContact O-CG 3.49Å; P112-L116 PolarHBondContact O-N 2.88Å; E113-L116 PolarHBondContact O-N 3.42Å; K114-L116 PolarHBondContact O-N 3.39Å; L116-P121 HydrophobicContact CD2-CB 4.35Å; L116-P121 HydrophobicContact CD2-CG 3.5Å; L116-P121 VanDerWaalsContact CD2-CG 3.5Å; L116-F146 HydrophobicContact CD1-CE1 4.16Å; L116-F146 HydrophobicContact CD1-CZ 4.16Å; L116-F146 HydrophobicContact CD2-CE1 3.94Å; L116-F146 HydrophobicContact CD2-CZ 4.41Å; L116-F210 HydrophobicContact CD2-CE2 4.42Å
117T83.1Confident81.2Confident118 Ų11873.5 Ų73.572%0.72436%0.356SS*.Hα-helixtrans-78.7-32.6171.656.60000113.3E113 K114 Y115E113-T117 WeakPolarHBondContact O-CG2 3.46Å; E113-T117 PolarHBondContact O-N 3.25Å; E113-T117 PolarHBondContact O-OG1 2.92Å; K114-T117 WeakPolarHBondContact CA-OG1 3.15Å; K114-T117 PolarHBondContact O-N 3.47Å; K114-T117 PolarHBondContact O-OG1 3.48Å; Y115-T117 PolarHBondContact O-N 3.3Å
118E84.4Confident82.8Confident127 Ų12765 Ų6559%0.59332%0.321SS*.Hα-helixtrans-97.9-15-174.2-68.3175.2175.100113.1K114 Y115K114-E118 VanDerWaalsContact CE-CD 3.49Å; K114-E118 WeakPolarHBondContact CE-OE1 3.46Å; K114-E118 WeakPolarHBondContact CE-OE2 3.45Å; K114-E118 HydrophobicContact CG-CG 4.48Å; K114-E118 IonicContact NZ-OE1 2.82Å; K114-E118 WeakPolarHBondContact O-CG 3.44Å; K114-E118 PolarHBondContact O-N 2.81Å; Y115-E118 PolarHBondContact O-N 2.88Å
119N83.6Confident84.4Confident60 Ų6062.6 Ų62.632%0.32132%0.32SS..  trans-140.4153.8-170.9-55.6-99.4000111.4Y115 P121Y115-N119 HydrophobicContact CD1-CB 4.12Å; Y115-N119 HydrophobicContact CD2-CB 4.29Å; Y115-N119 WeakPolarHBondContact CD2-ND2 3.45Å; Y115-N119 HydrophobicContact CE1-CB 3.59Å; Y115-N119 HydrophobicContact CE2-CB 3.79Å; Y115-N119 VanDerWaalsContact CE2-ND2 3.34Å; Y115-N119 WeakPolarHBondContact CE2-ND2 3.43Å; Y115-N119 HydrophobicContact CG-CB 4.42Å; Y115-N119 VanDerWaalsContact CZ-CG 3.49Å; Y115-N119 WeakPolarHBondContact O-CA 3.45Å; Y115-N119 VanDerWaalsContact O-CB 3.25Å; Y115-N119 WeakPolarHBondContact O-CB 3.35Å; Y115-N119 PolarHBondContact O-N 3.34Å; Y115-N119 PolarHBondContact O-ND2 2.9Å; Y115-N119 VanDerWaalsContact O-ND2 3.08Å; Y115-N119 WeakPolarHBondContact OH-CB 3.46Å; N119-P121 WeakPolarHBondContact O-CD 3.13Å
120E83Confident85.9Confident129 Ų12959.8 Ų59.860%0.60331%0.313SS*.  trans-101.2102.7171.3-56.9-157.9130.900109.5R149E120-R149 VanDerWaalsContact CD-NH1 3.34Å; E120-R149 IonicContact OE1-CZ 3.96Å; E120-R149 IonicContact OE1-NH1 3.5Å; E120-R149 PolarHBondContact OE1-NH1 3.05Å; E120-R149 IonicContact OE1-NH2 3.32Å; E120-R149 PolarHBondContact OE1-NH2 3.34Å; E120-R149 IonicContact OE2-NH1 2.76Å
121P82.3Confident87.2Confident3 Ų361.6 Ų61.62%0.01932%0.316CS..PPolyproline II helixtrans-68.7145.4179.731.1-38.9000111.3Y115 L116 N119 F123 F210Y115-P121 HydrophobicContact CE1-CB 4.46Å; L116-P121 HydrophobicContact CD2-CB 4.35Å; L116-P121 HydrophobicContact CD2-CG 3.5Å; L116-P121 VanDerWaalsContact CD2-CG 3.5Å; N119-P121 WeakPolarHBondContact O-CD 3.13Å; P121-F123 HydrophobicContact CB-CZ 4.49Å; P121-F123 HydrophobicContact CG-CE2 4.03Å; P121-F123 HydrophobicContact CG-CZ 3.92Å; P121-F210 HydrophobicContact CB-CD2 3.33Å; P121-F210 HydrophobicContact CB-CE2 3.57Å; P121-F210 HydrophobicContact CB-CG 4.47Å; P121-F210 HydrophobicContact CG-CD2 4.32Å; P121-F210 HydrophobicContact CG-CE2 4.38Å
122I85.7Confident88.3Confident40 Ų4057.9 Ų57.921%0.20530%0.295CS..EExtended strand (participates in β ladder)trans-95.5132.6161.7-61179.2000108.1I152 T207 Y209 F210I122-I152 HydrophobicContact CG2-CD1 3.56Å; I122-I152 HydrophobicContact CG2-CG1 3.79Å; I122-T207 HydrophobicContact CB-CG2 4.49Å; I122-T207 HydrophobicContact CD1-CG2 3.67Å; I122-T207 HydrophobicContact CG1-CG2 3.9Å; I122-Y209 HydrophobicContact CB-CD1 3.62Å; I122-Y209 HydrophobicContact CB-CE1 3.8Å; I122-Y209 HydrophobicContact CD1-CE1 3.94Å; I122-Y209 HydrophobicContact CG1-CE1 4.42Å; I122-Y209 HydrophobicContact CG2-CD1 3.71Å; I122-Y209 HydrophobicContact CG2-CE1 3.8Å; I122-Y209 WeakPolarHBondContact O-CA 3.25Å; I122-F210 PolarHBondContact O-N 2.85Å
123F91.2Very high89.4Confident9 Ų956.4 Ų56.44%0.03929%0.293CS..EExtended strand (participates in β ladder)trans-90.8125.7176.9-65.4-78.8000109.9P121 V142 F146 R149 T150 I151 I152 F210 I212P121-F123 HydrophobicContact CB-CZ 4.49Å; P121-F123 HydrophobicContact CG-CE2 4.03Å; P121-F123 HydrophobicContact CG-CZ 3.92Å; F123-V142 HydrophobicContact CB-CG1 4.13Å; F123-V142 HydrophobicContact CD1-CG1 4.1Å; F123-V142 HydrophobicContact CD1-CG2 4.36Å; F123-V142 HydrophobicContact CD2-CG1 3.35Å; F123-V142 HydrophobicContact CE1-CG1 4.37Å; F123-V142 HydrophobicContact CE2-CG1 3.68Å; F123-V142 HydrophobicContact CG-CG1 3.57Å; F123-V142 HydrophobicContact CG-CG2 4.43Å; F123-V142 HydrophobicContact CZ-CG1 4.18Å; F123-F146 HydrophobicContact CE1-CD2 4.22Å; F123-F146 HydrophobicContact CE1-CE2 4.16Å; F123-F146 HydrophobicContact CE2-CB 3.74Å; F123-F146 HydrophobicContact CE2-CD1 4.11Å; F123-F146 AromaticContact CE2-CD2 3.81Å; F123-F146 HydrophobicContact CE2-CD2 3.81Å; F123-F146 HydrophobicContact CE2-CE2 4.44Å; F123-F146 AromaticContact CE2-CG 3.62Å; F123-F146 HydrophobicContact CE2-CG 3.62Å; F123-F146 HydrophobicContact CZ-CB 4.19Å; F123-F146 AromaticContact CZ-CD1 3.88Å; F123-F146 HydrophobicContact CZ-CD1 3.88Å; F123-F146 AromaticContact CZ-CD2 3.37Å; F123-F146 HydrophobicContact CZ-CD2 3.37Å; F123-F146 HydrophobicContact CZ-CE1 4.06Å; F123-F146 AromaticContact CZ-CE2 3.57Å; F123-F146 HydrophobicContact CZ-CE2 3.57Å; F123-F146 AromaticContact CZ-CG 3.54Å; F123-F146 HydrophobicContact CZ-CG 3.54Å; F123-F146 AromaticContact CZ-CZ 3.91Å; F123-F146 HydrophobicContact CZ-CZ 3.91Å; F123-R149 HydrophobicContact CD2-CB 3.99Å; F123-R149 HydrophobicContact CE2-CB 3.85Å; F123-R149 HydrophobicContact CE2-CG 4.09Å; F123-T150 PolarHBondContact N-O 2.98Å; F123-I151 HydrophobicContact CB-CG1 4.21Å; F123-I151 HydrophobicContact CB-CG2 4.47Å; F123-I151 CarbonylContact O-C 3.54Å; F123-I151 WeakPolarHBondContact O-CA 3.15Å; F123-I152 PolarHBondContact O-N 3.31Å; F123-F210 HydrophobicContact CD1-CB 3.76Å; F123-F210 HydrophobicContact CE1-CB 3.92Å; F123-F210 HydrophobicContact CE1-CG 4.36Å; F123-I212 HydrophobicContact CB-CD1 4.45Å; F123-I212 HydrophobicContact CD1-CD1 3.34Å; F123-I212 HydrophobicContact CD1-CG1 4.18Å; F123-I212 HydrophobicContact CE1-CD1 3.9Å; F123-I212 HydrophobicContact CG-CD1 4.2Å
124L92.9Very high90.3Very high2 Ų255.1 Ų55.11%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-105.5129.2173.2-70.8172000109I152 Y154 I198 R202 Y209 F210 V211 I212L124-I152 HydrophobicContact CD2-CB 3.73Å; L124-I152 HydrophobicContact CD2-CD1 4.22Å; L124-I152 HydrophobicContact CD2-CG1 4.49Å; L124-I152 HydrophobicContact CD2-CG2 3.88Å; L124-Y154 HydrophobicContact CD2-CE2 4.06Å; L124-I198 HydrophobicContact CD1-CG2 4.16Å; L124-I198 HydrophobicContact CD2-CG2 4.27Å; L124-R202 HydrophobicContact CD1-CB 4.17Å; L124-R202 HydrophobicContact CD1-CG 4.4Å; L124-R202 HydrophobicContact CD2-CG 4Å; L124-Y209 HydrophobicContact CD1-CD1 3.55Å; L124-Y209 HydrophobicContact CD1-CD2 4.16Å; L124-Y209 HydrophobicContact CD1-CE1 4.42Å; L124-Y209 HydrophobicContact CD1-CG 3.39Å; L124-Y209 HydrophobicContact CD2-CD1 4.04Å; L124-Y209 HydrophobicContact CD2-CE1 4.47Å; L124-Y209 HydrophobicContact CG-CD1 3.58Å; L124-Y209 HydrophobicContact CG-CE1 4.46Å; L124-Y209 HydrophobicContact CG-CG 3.9Å; L124-F210 PolarHBondContact N-O 2.85Å; L124-V211 HydrophobicContact CB-CG2 4.33Å; L124-V211 HydrophobicContact CD1-CG2 4.43Å; L124-V211 CarbonylContact O-C 3.53Å; L124-V211 WeakPolarHBondContact O-CA 3.27Å; L124-I212 PolarHBondContact O-N 3.17Å
125T95.2Very high91Very high8 Ų849.8 Ų49.85%0.04927%0.271CS..EExtended strand (participates in β ladder)trans-139.8163167.7-165.20000110.2V135 I139 I151 I152 F153 Y154 I212T125-V135 HydrophobicContact CG2-CG2 3.98Å; T125-I139 HydrophobicContact CG2-CG1 4.42Å; T125-I151 HydrophobicContact CG2-CG2 4.18Å; T125-I152 PolarHBondContact N-O 3.36Å; T125-F153 HydrophobicContact CG2-CB 4.48Å; T125-F153 HydrophobicContact CG2-CD2 3.68Å; T125-F153 HydrophobicContact CG2-CE2 4.39Å; T125-F153 WeakPolarHBondContact O-CA 3.44Å; T125-Y154 PolarHBondContact O-N 3.49Å; T125-I212 WeakPolarHBondContact CB-O 3.28Å; T125-I212 PolarHBondContact OG1-O 2.91Å
126A96.2Very high91.8Very high16 Ų1651.7 Ų51.713%0.13228%0.28CS..EExtended strand (participates in β ladder)trans-152.6141.6178.800000110.1Y154 L156 W194 I198A126-Y154 WeakPolarHBondContact CA-O 3.07Å; A126-Y154 WeakPolarHBondContact CB-O 3.26Å; A126-L156 HydrophobicContact CB-CD1 3.87Å; A126-L156 HydrophobicContact CB-CD2 4.41Å; A126-L156 HydrophobicContact CB-CG 4.05Å; A126-W194 HydrophobicContact CB-CE3 4.01Å; A126-W194 HydrophobicContact CB-CH2 3.95Å; A126-W194 HydrophobicContact CB-CZ3 3.48Å; A126-W194 VanDerWaalsContact CB-CZ3 3.48Å; A126-I198 HydrophobicContact CB-CD1 3.86Å
127A97.2Very high92.4Very high4 Ų453.9 Ų53.93%0.03330%0.296CS..EExtended strand (participates in β ladder)trans-151.7159.2177.800000111.9F131 V135 F153 Y154 L156 M158A127-F131 HydrophobicContact CB-CB 4.05Å; A127-V135 HydrophobicContact CB-CB 3.84Å; A127-V135 HydrophobicContact CB-CG1 3.81Å; A127-V135 HydrophobicContact CB-CG2 4.05Å; A127-F153 HydrophobicContact CB-CE2 4.02Å; A127-F153 HydrophobicContact CB-CZ 3.93Å; A127-Y154 PolarHBondContact N-O 2.98Å; A127-L156 WeakPolarHBondContact O-CB 3.35Å; A127-L156 PolarHBondContact O-N 3.15Å; A127-M158 HydrophobicContact CB-CE 3.64Å
128S97Very high93Very high12 Ų1249.4 Ų49.48%0.08427%0.271CS..  trans-104.4174.8162.757.90000109.8E130 F131 F132 M158S128-E130 PolarHBondContact O-N 3.06Å; S128-E130 VanDerWaalsContact O-N 3.13Å; S128-F131 CarbonylContact O-C 3.59Å; S128-F131 PolarHBondContact O-N 3.39Å; S128-F132 PolarHBondContact O-N 2.92Å; S128-M158 VanDerWaalsContact C-CE 3.45Å; S128-M158 VanDerWaalsContact C-SD 3.51Å; S128-M158 VanDerWaalsContact O-CE 3.25Å; S128-M158 WeakPolarHBondContact O-CE 3.46Å
129T97.7Very high93.5Very high70 Ų7043.4 Ų43.443%0.42924%0.243SC..G310 helixtrans-51-36.6177.9-174.30000113.6F131 F132 G157 M158 E162T129-F131 PolarHBondContact O-N 2.92Å; T129-F131 VanDerWaalsContact O-N 3.1Å; T129-F132 WeakPolarHBondContact O-CB 3.45Å; T129-F132 PolarHBondContact O-N 3.1Å; T129-F132 VanDerWaalsContact O-N 3.13Å; T129-G157 PolarHBondContact N-O 3.35Å; T129-G157 VanDerWaalsContact N-O 3.14Å; T129-M158 PolarHBondContact N-SD 3.43Å; T129-M158 VanDerWaalsContact N-SD 3.44Å; T129-E162 WeakPolarHBondContact CB-OE2 3.22Å; T129-E162 PolarHBondContact OG1-OE1 3.39Å; T129-E162 PolarHBondContact OG1-OE2 3.35Å
130E96Very high94.1Very high119 Ų11949 Ų4956%0.55626%0.259SS*.G310 helixtrans-56.3-30.6176-175.3-179.9-173.400112.7S128 R190S128-E130 PolarHBondContact O-N 3.06Å; S128-E130 VanDerWaalsContact O-N 3.13Å; E130-R190 IonicContact OE1-NH2 3.82Å
131F95.7Very high94.7Very high101 Ų10145.2 Ų45.244%0.44325%0.247SC..G310 helixtrans-111.716.4-177.1-63.9-81.3000113.2A127 S128 T129 G133 P134 V135A127-F131 HydrophobicContact CB-CB 4.05Å; S128-F131 CarbonylContact O-C 3.59Å; S128-F131 PolarHBondContact O-N 3.39Å; T129-F131 PolarHBondContact O-N 2.92Å; T129-F131 VanDerWaalsContact O-N 3.1Å; F131-G133 PolarHBondContact O-N 3.01Å; F131-P134 WeakPolarHBondContact O-CD 3.37Å; F131-V135 WeakPolarHBondContact O-CB 3.36Å; F131-V135 WeakPolarHBondContact O-CG1 3.29Å; F131-V135 PolarHBondContact O-N 3.34Å
132F97.1Very high95.2Very high18 Ų1845.6 Ų45.68%0.07925%0.249CC..Hα-helixtrans-64.1-42.2-178.1-176.6-123.8000113.3S128 T129 V135 K136 M158 E162 E165 L166S128-F132 PolarHBondContact O-N 2.92Å; T129-F132 WeakPolarHBondContact O-CB 3.45Å; T129-F132 PolarHBondContact O-N 3.1Å; T129-F132 VanDerWaalsContact O-N 3.13Å; F132-V135 HydrophobicContact CD2-CG1 4.38Å; F132-V135 WeakPolarHBondContact O-CG1 3.37Å; F132-K136 HydrophobicContact CE1-CD 4.08Å; F132-K136 HydrophobicContact CE2-CD 4.11Å; F132-K136 HydrophobicContact CE2-CG 4.1Å; F132-K136 HydrophobicContact CZ-CD 3.75Å; F132-K136 HydrophobicContact CZ-CG 4.26Å; F132-K136 WeakPolarHBondContact O-CG 3.41Å; F132-K136 PolarHBondContact O-N 2.81Å; F132-M158 HydrophobicContact CB-CE 4.06Å; F132-M158 HydrophobicContact CB-SD 4.11Å; F132-M158 HydrophobicContact CD2-CE 3.82Å; F132-M158 HydrophobicContact CD2-SD 4.01Å; F132-M158 HydrophobicContact CG-CE 4.39Å; F132-M158 HydrophobicContact CG-SD 4.31Å; F132-E162 WeakPolarHBondContact CB-OE1 3.04Å; F132-E162 HydrophobicContact CD1-CB 4.25Å; F132-E162 HydrophobicContact CD1-CG 3.57Å; F132-E162 HydrophobicContact CD2-CB 4.19Å; F132-E162 HydrophobicContact CD2-CG 4.32Å; F132-E162 HydrophobicContact CE1-CB 4.09Å; F132-E162 HydrophobicContact CE1-CG 3.69Å; F132-E162 HydrophobicContact CE2-CB 4.07Å; F132-E162 HydrophobicContact CE2-CG 4.44Å; F132-E162 HydrophobicContact CG-CB 4.29Å; F132-E162 HydrophobicContact CG-CG 3.9Å; F132-E162 HydrophobicContact CZ-CB 3.99Å; F132-E162 HydrophobicContact CZ-CG 4.13Å; F132-E165 WeakPolarHBondContact CE1-OE2 3.33Å; F132-E165 HydrophobicContact CZ-CB 4.16Å; F132-E165 HydrophobicContact CZ-CG 4.22Å; F132-E165 WeakPolarHBondContact CZ-OE2 3.22Å; F132-L166 HydrophobicContact CE2-CD1 4.1Å; F132-L166 HydrophobicContact CE2-CD2 3.92Å; F132-L166 HydrophobicContact CE2-CG 3.75Å
133G96.8Very high95.6Very high42 Ų4246.3 Ų46.343%0.43325%0.252SS..Hα-helixtrans-60.1-57174.400000112.8F131 V135 K136 V137F131-G133 PolarHBondContact O-N 3.01Å; G133-V135 PolarHBondContact O-N 3.19Å; G133-K136 PolarHBondContact O-N 2.78Å; G133-V137 PolarHBondContact O-N 3.05Å
134P96.4Very high95.7Very high80 Ų8050.9 Ų50.952%0.51927%0.273SS..Hα-helixtrans-55.8-43.4177.6-29.535.8000114.2F131 K136 V137 A138F131-P134 WeakPolarHBondContact O-CD 3.37Å; P134-K136 VanDerWaalsContact C-N 3.29Å; P134-K136 PolarHBondContact O-N 2.89Å; P134-V137 WeakPolarHBondContact O-CB 3.29Å; P134-V137 PolarHBondContact O-N 2.76Å; P134-V137 VanDerWaalsContact O-N 3.08Å; P134-A138 PolarHBondContact O-N 3.43Å; P134-A138 VanDerWaalsContact O-N 3.11Å
135V96.3Very high95.6Very high6 Ų656.3 Ų56.34%0.03629%0.294CS..Hα-helixtrans-68-29.5-17778.70000112.4T125 A127 F131 F132 G133 V137 A138 I139 F153T125-V135 HydrophobicContact CG2-CG2 3.98Å; A127-V135 HydrophobicContact CB-CB 3.84Å; A127-V135 HydrophobicContact CB-CG1 3.81Å; A127-V135 HydrophobicContact CB-CG2 4.05Å; F131-V135 WeakPolarHBondContact O-CB 3.36Å; F131-V135 WeakPolarHBondContact O-CG1 3.29Å; F131-V135 PolarHBondContact O-N 3.34Å; F132-V135 HydrophobicContact CD2-CG1 4.38Å; F132-V135 WeakPolarHBondContact O-CG1 3.37Å; G133-V135 PolarHBondContact O-N 3.19Å; V135-V137 VanDerWaalsContact C-N 3.31Å; V135-V137 PolarHBondContact O-N 3.18Å; V135-A138 PolarHBondContact O-N 3.34Å; V135-I139 HydrophobicContact CG2-CD1 4.3Å; V135-I139 WeakPolarHBondContact O-CB 3.38Å; V135-I139 VanDerWaalsContact O-CG1 3.26Å; V135-I139 WeakPolarHBondContact O-CG1 3.44Å; V135-I139 PolarHBondContact O-N 3.39Å; V135-F153 HydrophobicContact CB-CE2 4.39Å; V135-F153 HydrophobicContact CG1-CE2 3.83Å; V135-F153 HydrophobicContact CG1-CZ 4.49Å; V135-F153 HydrophobicContact CG2-CD2 4.24Å; V135-F153 HydrophobicContact CG2-CE2 3.72Å
136K96.9Very high95.4Very high66 Ų6658.8 Ų58.829%0.28731%0.305SS..Hα-helixtrans-62.4-38.5171.5-73.3-165.1-72.1-177.50112.4F132 G133 P134 R140 E165 F169F132-K136 HydrophobicContact CE1-CD 4.08Å; F132-K136 HydrophobicContact CE2-CD 4.11Å; F132-K136 HydrophobicContact CE2-CG 4.1Å; F132-K136 HydrophobicContact CZ-CD 3.75Å; F132-K136 HydrophobicContact CZ-CG 4.26Å; F132-K136 WeakPolarHBondContact O-CG 3.41Å; F132-K136 PolarHBondContact O-N 2.81Å; G133-K136 PolarHBondContact O-N 2.78Å; P134-K136 VanDerWaalsContact C-N 3.29Å; P134-K136 PolarHBondContact O-N 2.89Å; K136-R140 WeakPolarHBondContact O-CB 3.44Å; K136-R140 PolarHBondContact O-N 3.02Å; K136-E165 WeakPolarHBondContact CD-OE1 3.38Å; K136-E165 IonicContact NZ-OE1 2.75Å; K136-E165 PolarHBondContact NZ-OE1 3.35Å; K136-E165 IonicContact NZ-OE2 2.87Å; K136-F169 HydrophobicContact CD-CE2 4.2Å; K136-F169 HydrophobicContact CD-CZ 3.75Å; K136-F169 HydrophobicContact CG-CE2 3.97Å; K136-F169 HydrophobicContact CG-CZ 4.05Å
137V96.4Very high95Very high102 Ų10261.6 Ų61.662%0.61832%0.322SS*.Hα-helixtrans-65.9-42.7175.9-179.40000110.2G133 P134 V135 R140 S141G133-V137 PolarHBondContact O-N 3.05Å; P134-V137 WeakPolarHBondContact O-CB 3.29Å; P134-V137 PolarHBondContact O-N 2.76Å; P134-V137 VanDerWaalsContact O-N 3.08Å; V135-V137 VanDerWaalsContact C-N 3.31Å; V135-V137 PolarHBondContact O-N 3.18Å; V137-R140 PolarHBondContact O-N 2.91Å; V137-S141 WeakPolarHBondContact O-CB 3.48Å; V137-S141 PolarHBondContact O-N 3.24Å
138A94.8Very high94.6Very high23 Ų2367.7 Ų67.719%0.1935%0.354CS..Hα-helixtrans-61.8-48.1175.600000112P134 V135 R140 S141 V142 I212P134-A138 PolarHBondContact O-N 3.43Å; P134-A138 VanDerWaalsContact O-N 3.11Å; V135-A138 PolarHBondContact O-N 3.34Å; A138-R140 PolarHBondContact O-N 3.4Å; A138-S141 WeakPolarHBondContact O-CB 3.27Å; A138-S141 PolarHBondContact O-N 3.13Å; A138-V142 WeakPolarHBondContact O-CG2 3.33Å; A138-V142 PolarHBondContact O-N 2.87Å; A138-I212 HydrophobicContact CB-CG2 4.22Å
139I96.2Very high94.2Very high2 Ų270 Ų701%0.0136%0.361CS..Hα-helixtrans-57.6-48.4176.4-70.7163.6000110.7T125 V135 S141 V142 Q143 I151 F153 L166 F169 L172T125-I139 HydrophobicContact CG2-CG1 4.42Å; V135-I139 HydrophobicContact CG2-CD1 4.3Å; V135-I139 WeakPolarHBondContact O-CB 3.38Å; V135-I139 VanDerWaalsContact O-CG1 3.26Å; V135-I139 WeakPolarHBondContact O-CG1 3.44Å; V135-I139 PolarHBondContact O-N 3.39Å; I139-S141 VanDerWaalsContact C-N 3.31Å; I139-S141 PolarHBondContact O-N 3.37Å; I139-V142 PolarHBondContact O-N 2.75Å; I139-V142 VanDerWaalsContact O-N 3.16Å; I139-Q143 HydrophobicContact CG2-CG 4.37Å; I139-Q143 WeakPolarHBondContact O-CG 3.34Å; I139-Q143 PolarHBondContact O-N 3.47Å; I139-I151 HydrophobicContact CG2-CD1 3.95Å; I139-F153 HydrophobicContact CD1-CD2 4.08Å; I139-L166 HydrophobicContact CD1-CD2 4.01Å; I139-F169 HydrophobicContact CD1-CD2 4.36Å; I139-F169 HydrophobicContact CD1-CE2 4.42Å; I139-F169 HydrophobicContact CG2-CD2 4.09Å; I139-L172 HydrophobicContact CD1-CD1 3.84Å; I139-L172 HydrophobicContact CG1-CD1 4.14Å; I139-L172 HydrophobicContact CG2-CD1 4.19Å
140R95.4Very high93.9Very high176 Ų17669.9 Ų69.966%0.66436%0.36SS*.Hα-helixtrans-58.3-44.6177.4178.7-179.6172.9178.80.2111.5K136 V137 A138 V142 Q143 E144K136-R140 WeakPolarHBondContact O-CB 3.44Å; K136-R140 PolarHBondContact O-N 3.02Å; V137-R140 PolarHBondContact O-N 2.91Å; A138-R140 PolarHBondContact O-N 3.4Å; R140-V142 VanDerWaalsContact C-N 3.3Å; R140-V142 PolarHBondContact O-N 3.35Å; R140-Q143 PolarHBondContact O-N 3.46Å; R140-E144 WeakPolarHBondContact O-CB 3.4Å; R140-E144 PolarHBondContact O-N 3.3Å
141S94.9Very high93.9Very high51 Ų5164.3 Ų64.336%0.35733%0.334SS..Hα-helixtrans-60.4-42.7177.6-172.60000111.2V137 A138 I139 E144 Y145V137-S141 WeakPolarHBondContact O-CB 3.48Å; V137-S141 PolarHBondContact O-N 3.24Å; A138-S141 WeakPolarHBondContact O-CB 3.27Å; A138-S141 PolarHBondContact O-N 3.13Å; I139-S141 VanDerWaalsContact C-N 3.31Å; I139-S141 PolarHBondContact O-N 3.37Å; S141-E144 PolarHBondContact O-N 3.3Å; S141-Y145 WeakPolarHBondContact O-CD2 3.33Å; S141-Y145 PolarHBondContact O-N 2.87Å; S141-Y145 VanDerWaalsContact O-N 3.12Å
142V92.7Very high93.8Very high10 Ų1059.7 Ų59.76%0.06131%0.314CS..Hα-helixtrans-63.9-45.5176.3177.40000110.9F123 A138 I139 R140 E144 Y145 F146 I151 I212F123-V142 HydrophobicContact CB-CG1 4.13Å; F123-V142 HydrophobicContact CD1-CG1 4.1Å; F123-V142 HydrophobicContact CD1-CG2 4.36Å; F123-V142 HydrophobicContact CD2-CG1 3.35Å; F123-V142 HydrophobicContact CE1-CG1 4.37Å; F123-V142 HydrophobicContact CE2-CG1 3.68Å; F123-V142 HydrophobicContact CG-CG1 3.57Å; F123-V142 HydrophobicContact CG-CG2 4.43Å; F123-V142 HydrophobicContact CZ-CG1 4.18Å; A138-V142 WeakPolarHBondContact O-CG2 3.33Å; A138-V142 PolarHBondContact O-N 2.87Å; I139-V142 PolarHBondContact O-N 2.75Å; I139-V142 VanDerWaalsContact O-N 3.16Å; R140-V142 VanDerWaalsContact C-N 3.3Å; R140-V142 PolarHBondContact O-N 3.35Å; V142-E144 PolarHBondContact O-N 3.36Å; V142-Y145 PolarHBondContact O-N 2.74Å; V142-F146 HydrophobicContact CG1-CB 4.36Å; V142-F146 HydrophobicContact CG1-CD2 4.33Å; V142-F146 CarbonylContact O-C 3.53Å; V142-F146 VanDerWaalsContact O-CA 3.28Å; V142-F146 WeakPolarHBondContact O-CA 3.43Å; V142-F146 VanDerWaalsContact O-CB 3.25Å; V142-F146 WeakPolarHBondContact O-CB 3.35Å; V142-F146 PolarHBondContact O-N 2.02Å; V142-I151 HydrophobicContact CB-CD1 3.8Å; V142-I151 HydrophobicContact CB-CG1 4.36Å; V142-I151 HydrophobicContact CG1-CD1 3.65Å; V142-I151 HydrophobicContact CG1-CG1 3.73Å; V142-I212 HydrophobicContact CG2-CD1 3.2Å
143Q94.4Very high93.8Very high56 Ų5658.9 Ų58.926%0.26231%0.31SS..Hα-helixtrans-62.7-30.6177.6-70.6169.6-27.300112.6I139 R140 P147 I151 C170I139-Q143 HydrophobicContact CG2-CG 4.37Å; I139-Q143 WeakPolarHBondContact O-CG 3.34Å; I139-Q143 PolarHBondContact O-N 3.47Å; R140-Q143 PolarHBondContact O-N 3.46Å; Q143-P147 WeakPolarHBondContact O-CA 3.2Å; Q143-P147 WeakPolarHBondContact O-CB 3.46Å; Q143-I151 HydrophobicContact CG-CD1 3.83Å; Q143-C170 PolarHBondContact NE2-O 3.41Å
144E94Very high93.8Very high104 Ų10457.4 Ų57.449%0.48629%0.292SS..Hα-helixtrans-72.6-46177.7-174.1170.8170.400112.1R140 S141 V142R140-E144 WeakPolarHBondContact O-CB 3.4Å; R140-E144 PolarHBondContact O-N 3.3Å; S141-E144 PolarHBondContact O-N 3.3Å; V142-E144 PolarHBondContact O-N 3.36Å
145Y90.7Very high93.9Very high116 Ų11654.1 Ų54.146%0.45527%0.27SS..Hα-helixtrans-86.5-19-179.1-66.1-70.1000113.6S141 V142S141-Y145 WeakPolarHBondContact O-CD2 3.33Å; S141-Y145 PolarHBondContact O-N 2.87Å; S141-Y145 VanDerWaalsContact O-N 3.12Å; V142-Y145 PolarHBondContact O-N 2.74Å
146F90.5Very high94Very high60 Ų6054.3 Ų54.326%0.26327%0.271SS..  trans-139.761.2-175-55.5-82.1000111.7L116 F123 V142 N148 R149L116-F146 HydrophobicContact CD1-CE1 4.16Å; L116-F146 HydrophobicContact CD1-CZ 4.16Å; L116-F146 HydrophobicContact CD2-CE1 3.94Å; L116-F146 HydrophobicContact CD2-CZ 4.41Å; F123-F146 HydrophobicContact CE1-CD2 4.22Å; F123-F146 HydrophobicContact CE1-CE2 4.16Å; F123-F146 HydrophobicContact CE2-CB 3.74Å; F123-F146 HydrophobicContact CE2-CD1 4.11Å; F123-F146 AromaticContact CE2-CD2 3.81Å; F123-F146 HydrophobicContact CE2-CD2 3.81Å; F123-F146 HydrophobicContact CE2-CE2 4.44Å; F123-F146 AromaticContact CE2-CG 3.62Å; F123-F146 HydrophobicContact CE2-CG 3.62Å; F123-F146 HydrophobicContact CZ-CB 4.19Å; F123-F146 AromaticContact CZ-CD1 3.88Å; F123-F146 HydrophobicContact CZ-CD1 3.88Å; F123-F146 AromaticContact CZ-CD2 3.37Å; F123-F146 HydrophobicContact CZ-CD2 3.37Å; F123-F146 HydrophobicContact CZ-CE1 4.06Å; F123-F146 AromaticContact CZ-CE2 3.57Å; F123-F146 HydrophobicContact CZ-CE2 3.57Å; F123-F146 AromaticContact CZ-CG 3.54Å; F123-F146 HydrophobicContact CZ-CG 3.54Å; F123-F146 AromaticContact CZ-CZ 3.91Å; F123-F146 HydrophobicContact CZ-CZ 3.91Å; V142-F146 HydrophobicContact CG1-CB 4.36Å; V142-F146 HydrophobicContact CG1-CD2 4.33Å; V142-F146 CarbonylContact O-C 3.53Å; V142-F146 VanDerWaalsContact O-CA 3.28Å; V142-F146 WeakPolarHBondContact O-CA 3.43Å; V142-F146 VanDerWaalsContact O-CB 3.25Å; V142-F146 WeakPolarHBondContact O-CB 3.35Å; V142-F146 PolarHBondContact O-N 2.02Å; F146-N148 PolarHBondContact O-N 3.26Å; F146-R149 HydrophobicContact CB-CB 4Å; F146-R149 HydrophobicContact CB-CG 3.66Å; F146-R149 HydrophobicContact CD1-CG 4.48Å; F146-R149 HydrophobicContact CG-CG 4.47Å; F146-R149 PolarHBondContact O-N 3.14Å; F146-R149 VanDerWaalsContact O-N 3.1Å
147P88.9Confident94Very high76 Ų7653.2 Ų53.249%0.49428%0.278SS..THydrogen-bonded Turntrans-60.8-25-166.622-34.5000115.7Q143 N171Q143-P147 WeakPolarHBondContact O-CA 3.2Å; Q143-P147 WeakPolarHBondContact O-CB 3.46Å; P147-N171 PolarHBondContact O-ND2 2.93Å
148N88.3Confident94Very high132 Ų13249.5 Ų49.571%0.70625%0.254SS*.THydrogen-bonded Turntrans-10927.7-178.9-62.4-24.5000112.6F146F146-N148 PolarHBondContact O-N 3.26Å
149R89Confident94.2Very high60 Ų6051.7 Ų51.723%0.22627%0.265CS..  trans-110.2137.3179.3-61-61.3176.9-12210.1111.3E120 F123 F146 N171E120-R149 VanDerWaalsContact CD-NH1 3.34Å; E120-R149 IonicContact OE1-CZ 3.96Å; E120-R149 IonicContact OE1-NH1 3.5Å; E120-R149 PolarHBondContact OE1-NH1 3.05Å; E120-R149 IonicContact OE1-NH2 3.32Å; E120-R149 PolarHBondContact OE1-NH2 3.34Å; E120-R149 IonicContact OE2-NH1 2.76Å; F123-R149 HydrophobicContact CD2-CB 3.99Å; F123-R149 HydrophobicContact CE2-CB 3.85Å; F123-R149 HydrophobicContact CE2-CG 4.09Å; F146-R149 HydrophobicContact CB-CB 4Å; F146-R149 HydrophobicContact CB-CG 3.66Å; F146-R149 HydrophobicContact CD1-CG 4.48Å; F146-R149 HydrophobicContact CG-CG 4.47Å; F146-R149 PolarHBondContact O-N 3.14Å; F146-R149 VanDerWaalsContact O-N 3.1Å; R149-N171 WeakPolarHBondContact O-CB 3.43Å
150T91.5Very high94.3Very high67 Ų6759.8 Ų59.841%0.41130%0.303SS..  trans-71129.7173.6-54.80000109.9F123 I152 N171 E173F123-T150 PolarHBondContact N-O 2.98Å; T150-I152 HydrophobicContact CG2-CG1 4.27Å; T150-N171 WeakPolarHBondContact CA-O 3.42Å; T150-E173 HydrophobicContact CG2-CB 4.32Å
151I94.5Very high94.4Very high3 Ų359 Ų592%0.01531%0.307CS..EExtended strand (participates in β ladder)trans-106.2120.2170.5-56.8168.6000106.9F123 T125 I139 V142 Q143 N171 L172 E173F123-I151 HydrophobicContact CB-CG1 4.21Å; F123-I151 HydrophobicContact CB-CG2 4.47Å; F123-I151 CarbonylContact O-C 3.54Å; F123-I151 WeakPolarHBondContact O-CA 3.15Å; T125-I151 HydrophobicContact CG2-CG2 4.18Å; I139-I151 HydrophobicContact CG2-CD1 3.95Å; V142-I151 HydrophobicContact CB-CD1 3.8Å; V142-I151 HydrophobicContact CB-CG1 4.36Å; V142-I151 HydrophobicContact CG1-CD1 3.65Å; V142-I151 HydrophobicContact CG1-CG1 3.73Å; Q143-I151 HydrophobicContact CG-CD1 3.83Å; I151-N171 PolarHBondContact N-O 2.92Å; I151-L172 HydrophobicContact CB-CD1 3.93Å; I151-L172 HydrophobicContact CG2-CD1 3.75Å; I151-L172 CarbonylContact O-C 3.59Å; I151-L172 WeakPolarHBondContact O-CA 3.4Å; I151-E173 PolarHBondContact O-N 3.16Å
152I95.2Very high94.6Very high4 Ų457.7 Ų57.72%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-95.4115.7173.7-58.1178.3000107.6I122 F123 L124 T125 T150 Y154 E173 V175 R202 Y209I122-I152 HydrophobicContact CG2-CD1 3.56Å; I122-I152 HydrophobicContact CG2-CG1 3.79Å; F123-I152 PolarHBondContact O-N 3.31Å; L124-I152 HydrophobicContact CD2-CB 3.73Å; L124-I152 HydrophobicContact CD2-CD1 4.22Å; L124-I152 HydrophobicContact CD2-CG1 4.49Å; L124-I152 HydrophobicContact CD2-CG2 3.88Å; T125-I152 PolarHBondContact N-O 3.36Å; T150-I152 HydrophobicContact CG2-CG1 4.27Å; I152-Y154 HydrophobicContact CG2-CD2 4.05Å; I152-Y154 HydrophobicContact CG2-CE2 3.68Å; I152-E173 HydrophobicContact CG1-CB 4.16Å; I152-V175 HydrophobicContact CG2-CG2 4.28Å; I152-R202 VanDerWaalsContact CG2-NH2 3.34Å; I152-Y209 HydrophobicContact CD1-CE1 4.42Å
153F97Very high94.8Very high0 Ų058.1 Ų58.10%030%0.297CS..EExtended strand (participates in β ladder)trans-102.7120.7179.6-179.3-84.1000110.4T125 A127 V135 I139 D155 M158 L166 L172 E173 Y174 V175T125-F153 HydrophobicContact CG2-CB 4.48Å; T125-F153 HydrophobicContact CG2-CD2 3.68Å; T125-F153 HydrophobicContact CG2-CE2 4.39Å; T125-F153 WeakPolarHBondContact O-CA 3.44Å; A127-F153 HydrophobicContact CB-CE2 4.02Å; A127-F153 HydrophobicContact CB-CZ 3.93Å; V135-F153 HydrophobicContact CB-CE2 4.39Å; V135-F153 HydrophobicContact CG1-CE2 3.83Å; V135-F153 HydrophobicContact CG1-CZ 4.49Å; V135-F153 HydrophobicContact CG2-CD2 4.24Å; V135-F153 HydrophobicContact CG2-CE2 3.72Å; I139-F153 HydrophobicContact CD1-CD2 4.08Å; F153-D155 HydrophobicContact CE1-CB 4.03Å; F153-M158 HydrophobicContact CE1-CE 4.39Å; F153-M158 HydrophobicContact CE2-CE 4.5Å; F153-M158 HydrophobicContact CZ-CE 3.61Å; F153-L166 HydrophobicContact CD1-CD1 3.9Å; F153-L166 HydrophobicContact CD2-CD2 4.33Å; F153-L166 HydrophobicContact CE1-CD1 3.47Å; F153-L166 VanDerWaalsContact CE1-CD1 3.47Å; F153-L166 HydrophobicContact CE2-CD1 4.32Å; F153-L166 HydrophobicContact CE2-CD2 4.32Å; F153-L166 HydrophobicContact CZ-CD1 3.74Å; F153-L172 HydrophobicContact CB-CD1 3.96Å; F153-L172 HydrophobicContact CB-CD2 4.21Å; F153-L172 HydrophobicContact CB-CG 4.13Å; F153-E173 PolarHBondContact N-O 3.43Å; F153-Y174 HydrophobicContact CD1-CD2 4.15Å; F153-V175 PolarHBondContact O-N 2.77Å
154Y97Very high95Very high12 Ų1263.4 Ų63.45%0.04732%0.319CS..EExtended strand (participates in β ladder)trans-95118.1171.5-81.9-94.2000111.9L124 T125 A126 A127 I152 L156 V175 F177 I198 R202L124-Y154 HydrophobicContact CD2-CE2 4.06Å; T125-Y154 PolarHBondContact O-N 3.49Å; A126-Y154 WeakPolarHBondContact CA-O 3.07Å; A126-Y154 WeakPolarHBondContact CB-O 3.26Å; A127-Y154 PolarHBondContact N-O 2.98Å; I152-Y154 HydrophobicContact CG2-CD2 4.05Å; I152-Y154 HydrophobicContact CG2-CE2 3.68Å; Y154-L156 PolarHBondContact O-N 3.23Å; Y154-V175 CarbonylContact C-O 3.5Å; Y154-V175 VanDerWaalsContact CA-O 3.27Å; Y154-V175 WeakPolarHBondContact CA-O 2.96Å; Y154-V175 HydrophobicContact CD1-CB 4.23Å; Y154-V175 HydrophobicContact CD1-CG1 3.94Å; Y154-V175 HydrophobicContact CE1-CB 4.2Å; Y154-V175 HydrophobicContact CE1-CG1 3.6Å; Y154-F177 HydrophobicContact CD1-CB 4.46Å; Y154-F177 HydrophobicContact CD1-CD2 4.07Å; Y154-I198 HydrophobicContact CD1-CD1 4.01Å; Y154-I198 HydrophobicContact CD1-CG1 3.98Å; Y154-I198 HydrophobicContact CD2-CD1 3.84Å; Y154-I198 HydrophobicContact CD2-CG1 4.1Å; Y154-I198 HydrophobicContact CD2-CG2 3.68Å; Y154-I198 HydrophobicContact CE1-CG1 4.17Å; Y154-I198 HydrophobicContact CE2-CB 4.44Å; Y154-I198 HydrophobicContact CE2-CG1 4.3Å; Y154-I198 HydrophobicContact CE2-CG2 3.51Å; Y154-I198 HydrophobicContact CG-CD1 3.53Å; Y154-I198 HydrophobicContact CG-CG1 3.92Å; Y154-I198 HydrophobicContact CG-CG2 4.37Å; Y154-R202 HydrophobicContact CE2-CG 4.33Å; Y154-R202 PolarHBondContact OH-NE 3.15Å
155D97.8Very high95.2Very high11 Ų1161.8 Ų61.86%0.05931%0.312CS..EExtended strand (participates in β ladder)trans-78.5116.6174.9-179.8-1.4000111.2F153 G157 M158 Y174 V175 F177F153-D155 HydrophobicContact CE1-CB 4.03Å; D155-G157 WeakPolarHBondContact OD1-CA 3.03Å; D155-G157 PolarHBondContact OD1-N 2.84Å; D155-M158 WeakPolarHBondContact OD1-CB 3.48Å; D155-M158 VanDerWaalsContact OD1-CG 3.27Å; D155-M158 WeakPolarHBondContact OD1-CG 3.5Å; D155-M158 PolarHBondContact OD1-N 3.19Å; D155-Y174 HydrophobicContact CB-CD2 4.47Å; D155-Y174 HydrophobicContact CB-CE2 3.53Å; D155-Y174 WeakPolarHBondContact OD2-CE2 3.48Å; D155-Y174 PolarHBondContact OD2-OH 3.12Å; D155-V175 PolarHBondContact N-O 3.35Å; D155-F177 WeakPolarHBondContact O-CB 3.15Å; D155-F177 PolarHBondContact O-N 3.16Å
156L97.6Very high95.5Very high10 Ų1056.3 Ų56.35%0.05229%0.29CS..SBendtrans-99.56.9178.8-56.7177.5000113.4A126 A127 Y154 F177 F179 L189 W194A126-L156 HydrophobicContact CB-CD1 3.87Å; A126-L156 HydrophobicContact CB-CD2 4.41Å; A126-L156 HydrophobicContact CB-CG 4.05Å; A127-L156 WeakPolarHBondContact O-CB 3.35Å; A127-L156 PolarHBondContact O-N 3.15Å; Y154-L156 PolarHBondContact O-N 3.23Å; L156-F177 HydrophobicContact CD2-CB 3.9Å; L156-F177 HydrophobicContact CD2-CD2 4.17Å; L156-F177 HydrophobicContact CD2-CG 3.96Å; L156-F179 HydrophobicContact CB-CZ 4.25Å; L156-F179 HydrophobicContact CD2-CZ 4.01Å; L156-L189 HydrophobicContact CB-CD1 4.01Å; L156-L189 HydrophobicContact CB-CD2 4.03Å; L156-L189 HydrophobicContact CD1-CD2 4.46Å; L156-W194 HydrophobicContact CD1-CD2 3.71Å; L156-W194 VanDerWaalsContact CD1-CE2 3.47Å; L156-W194 HydrophobicContact CD1-CE3 4.13Å; L156-W194 HydrophobicContact CD1-CG 4.14Å; L156-W194 HydrophobicContact CD1-CH2 4.1Å; L156-W194 HydrophobicContact CD1-CZ2 3.69Å; L156-W194 HydrophobicContact CD1-CZ3 4.32Å; L156-W194 HydrophobicContact CD2-CB 4.1Å; L156-W194 HydrophobicContact CD2-CD2 4.15Å; L156-W194 HydrophobicContact CD2-CE3 4.47Å; L156-W194 HydrophobicContact CD2-CG 3.99Å
157G96.9Very high95.8Very high43 Ų4359.7 Ų59.744%0.44331%0.305SS..SBendtrans132.665.6-177.700000112.5T129 D155T129-G157 PolarHBondContact N-O 3.35Å; T129-G157 VanDerWaalsContact N-O 3.14Å; D155-G157 WeakPolarHBondContact OD1-CA 3.03Å; D155-G157 PolarHBondContact OD1-N 2.84Å
158M97.1Very high96.2Very high24 Ų2460.1 Ų60.112%0.11831%0.31CS..  trans-93.3154.4172.7-67.4-63.8-177.500111.6A127 S128 T129 F132 F153 D155 E162 V163 L166A127-M158 HydrophobicContact CB-CE 3.64Å; S128-M158 VanDerWaalsContact C-CE 3.45Å; S128-M158 VanDerWaalsContact C-SD 3.51Å; S128-M158 VanDerWaalsContact O-CE 3.25Å; S128-M158 WeakPolarHBondContact O-CE 3.46Å; T129-M158 PolarHBondContact N-SD 3.43Å; T129-M158 VanDerWaalsContact N-SD 3.44Å; F132-M158 HydrophobicContact CB-CE 4.06Å; F132-M158 HydrophobicContact CB-SD 4.11Å; F132-M158 HydrophobicContact CD2-CE 3.82Å; F132-M158 HydrophobicContact CD2-SD 4.01Å; F132-M158 HydrophobicContact CG-CE 4.39Å; F132-M158 HydrophobicContact CG-SD 4.31Å; F153-M158 HydrophobicContact CE1-CE 4.39Å; F153-M158 HydrophobicContact CE2-CE 4.5Å; F153-M158 HydrophobicContact CZ-CE 3.61Å; D155-M158 WeakPolarHBondContact OD1-CB 3.48Å; D155-M158 VanDerWaalsContact OD1-CG 3.27Å; D155-M158 WeakPolarHBondContact OD1-CG 3.5Å; D155-M158 PolarHBondContact OD1-N 3.19Å; M158-E162 HydrophobicContact CB-CB 4.15Å; M158-E162 HydrophobicContact SD-CB 4.14Å; M158-V163 HydrophobicContact CB-CG2 3.75Å; M158-L166 HydrophobicContact CG-CD1 4.33Å
159T98.1Very high96.6Very high69 Ų6956.1 Ų56.142%0.42329%0.286SS..  trans-75.9158.9169.2660000111H161 E162 V163T159-H161 PolarHBondContact O-N 3Å; T159-E162 WeakPolarHBondContact CB-OE2 3.36Å; T159-E162 WeakPolarHBondContact CG2-OE2 3.03Å; T159-E162 PolarHBondContact N-OE2 3.05Å; T159-E162 PolarHBondContact O-N 3.29Å; T159-E162 VanDerWaalsContact O-N 3.12Å; T159-E162 WeakPolarHBondContact OG1-CG 3.47Å; T159-E162 PolarHBondContact OG1-N 3.4Å; T159-E162 PolarHBondContact OG1-OE2 2.79Å; T159-V163 WeakPolarHBondContact O-CG2 3.32Å; T159-V163 PolarHBondContact O-N 2.74Å
160E97.9Very high96.8Very high172 Ų17257.8 Ų57.880%0.80431%0.306SS*.Hα-helixtrans-58-35.7-179.9-64.1-175.4170.900113.2V163 K164E160-V163 PolarHBondContact O-N 3.24Å; E160-K164 WeakPolarHBondContact O-CB 3.09Å; E160-K164 PolarHBondContact O-N 2.9Å
161H98.3Very high96.9Very high159 Ų15958.2 Ų58.274%0.73631%0.306SS*.Hα-helixtrans-65.2-44.5176.4-69.2-53.4000112.1T159 K164 E165T159-H161 PolarHBondContact O-N 3Å; H161-K164 PolarHBondContact O-N 2.88Å; H161-E165 PolarHBondContact O-N 2.8Å
162E98.4Very high97Very high23 Ų2359.3 Ų59.311%0.10731%0.311CS..Hα-helixtrans-65.5-40.3177.4-66.1166.2142.900111.2T129 F132 M158 T159 K164 E165 L166T129-E162 WeakPolarHBondContact CB-OE2 3.22Å; T129-E162 PolarHBondContact OG1-OE1 3.39Å; T129-E162 PolarHBondContact OG1-OE2 3.35Å; F132-E162 WeakPolarHBondContact CB-OE1 3.04Å; F132-E162 HydrophobicContact CD1-CB 4.25Å; F132-E162 HydrophobicContact CD1-CG 3.57Å; F132-E162 HydrophobicContact CD2-CB 4.19Å; F132-E162 HydrophobicContact CD2-CG 4.32Å; F132-E162 HydrophobicContact CE1-CB 4.09Å; F132-E162 HydrophobicContact CE1-CG 3.69Å; F132-E162 HydrophobicContact CE2-CB 4.07Å; F132-E162 HydrophobicContact CE2-CG 4.44Å; F132-E162 HydrophobicContact CG-CB 4.29Å; F132-E162 HydrophobicContact CG-CG 3.9Å; F132-E162 HydrophobicContact CZ-CB 3.99Å; F132-E162 HydrophobicContact CZ-CG 4.13Å; M158-E162 HydrophobicContact CB-CB 4.15Å; M158-E162 HydrophobicContact SD-CB 4.14Å; T159-E162 WeakPolarHBondContact CB-OE2 3.36Å; T159-E162 WeakPolarHBondContact CG2-OE2 3.03Å; T159-E162 PolarHBondContact N-OE2 3.05Å; T159-E162 PolarHBondContact O-N 3.29Å; T159-E162 VanDerWaalsContact O-N 3.12Å; T159-E162 WeakPolarHBondContact OG1-CG 3.47Å; T159-E162 PolarHBondContact OG1-N 3.4Å; T159-E162 PolarHBondContact OG1-OE2 2.79Å; E162-K164 VanDerWaalsContact C-N 3.34Å; E162-K164 PolarHBondContact O-N 3.39Å; E162-E165 PolarHBondContact O-N 3.33Å; E162-L166 WeakPolarHBondContact O-CG 3.42Å; E162-L166 PolarHBondContact O-N 3.4Å
163V98.3Very high97.1Very high19 Ų1962.7 Ų62.712%0.11533%0.327CS..Hα-helixtrans-62.1-42.5175.21740000111.2M158 T159 E160 E165 L166 K167 Y174M158-V163 HydrophobicContact CB-CG2 3.75Å; T159-V163 WeakPolarHBondContact O-CG2 3.32Å; T159-V163 PolarHBondContact O-N 2.74Å; E160-V163 PolarHBondContact O-N 3.24Å; V163-E165 VanDerWaalsContact C-N 3.33Å; V163-E165 PolarHBondContact O-N 3.19Å; V163-L166 PolarHBondContact O-N 3.08Å; V163-K167 HydrophobicContact CG1-CD 4.02Å; V163-K167 HydrophobicContact CG1-CG 4.45Å; V163-K167 WeakPolarHBondContact O-CB 3.02Å; V163-K167 WeakPolarHBondContact O-CG 3.42Å; V163-K167 PolarHBondContact O-N 3.46Å; V163-Y174 HydrophobicContact CB-CE2 4.26Å; V163-Y174 HydrophobicContact CG1-CD2 4.32Å; V163-Y174 HydrophobicContact CG1-CE1 4.08Å; V163-Y174 HydrophobicContact CG1-CE2 3.74Å; V163-Y174 HydrophobicContact CG2-CE2 3.83Å
164K98.2Very high97.1Very high167 Ų16765.1 Ų65.173%0.72634%0.337SS*.Hα-helixtrans-62.6-41.1176.7-174.7179.7178.9-179.20111.5E160 H161 E162 S168E160-K164 WeakPolarHBondContact O-CB 3.09Å; E160-K164 PolarHBondContact O-N 2.9Å; H161-K164 PolarHBondContact O-N 2.88Å; E162-K164 VanDerWaalsContact C-N 3.34Å; E162-K164 PolarHBondContact O-N 3.39Å; K164-S168 PolarHBondContact O-N 3.03Å
165E98.2Very high97Very high71 Ų7166.1 Ų66.133%0.33234%0.344SS..Hα-helixtrans-64.1-49.3175-171.8-178.8156.500111.2F132 K136 H161 E162 V163 K167 S168 F169F132-E165 WeakPolarHBondContact CE1-OE2 3.33Å; F132-E165 HydrophobicContact CZ-CB 4.16Å; F132-E165 HydrophobicContact CZ-CG 4.22Å; F132-E165 WeakPolarHBondContact CZ-OE2 3.22Å; K136-E165 WeakPolarHBondContact CD-OE1 3.38Å; K136-E165 IonicContact NZ-OE1 2.75Å; K136-E165 PolarHBondContact NZ-OE1 3.35Å; K136-E165 IonicContact NZ-OE2 2.87Å; H161-E165 PolarHBondContact O-N 2.8Å; E162-E165 PolarHBondContact O-N 3.33Å; V163-E165 VanDerWaalsContact C-N 3.33Å; V163-E165 PolarHBondContact O-N 3.19Å; E165-K167 VanDerWaalsContact C-N 3.33Å; E165-K167 PolarHBondContact O-N 2.8Å; E165-S168 WeakPolarHBondContact O-CB 3.43Å; E165-S168 PolarHBondContact O-N 3.18Å; E165-S168 PolarHBondContact O-OG 3.46Å; E165-F169 HydrophobicContact CG-CE1 3.91Å; E165-F169 HydrophobicContact CG-CZ 4.03Å; E165-F169 WeakPolarHBondContact O-CD1 3.3Å
166L97Very high97Very high0 Ų073.1 Ų73.10%037%0.37CS..Hα-helixtrans-56.8-45.5178.6-75.7167.5000112.2F132 I139 F153 M158 E162 V163 S168 F169 L172 Y174F132-L166 HydrophobicContact CE2-CD1 4.1Å; F132-L166 HydrophobicContact CE2-CD2 3.92Å; F132-L166 HydrophobicContact CE2-CG 3.75Å; I139-L166 HydrophobicContact CD1-CD2 4.01Å; F153-L166 HydrophobicContact CD1-CD1 3.9Å; F153-L166 HydrophobicContact CD2-CD2 4.33Å; F153-L166 HydrophobicContact CE1-CD1 3.47Å; F153-L166 VanDerWaalsContact CE1-CD1 3.47Å; F153-L166 HydrophobicContact CE2-CD1 4.32Å; F153-L166 HydrophobicContact CE2-CD2 4.32Å; F153-L166 HydrophobicContact CZ-CD1 3.74Å; M158-L166 HydrophobicContact CG-CD1 4.33Å; E162-L166 WeakPolarHBondContact O-CG 3.42Å; E162-L166 PolarHBondContact O-N 3.4Å; V163-L166 PolarHBondContact O-N 3.08Å; L166-S168 PolarHBondContact O-N 2.77Å; L166-S168 VanDerWaalsContact O-N 3.1Å; L166-F169 HydrophobicContact CD2-CD2 4.18Å; L166-F169 HydrophobicContact CD2-CE2 3.97Å; L166-F169 WeakPolarHBondContact O-CB 3.49Å; L166-F169 PolarHBondContact O-N 3.24Å; L166-L172 HydrophobicContact CB-CD2 3.91Å; L166-L172 HydrophobicContact CD2-CD2 4.01Å; L166-L172 WeakPolarHBondContact O-CD2 3.45Å; L166-Y174 HydrophobicContact CD1-CD2 4.46Å
167K97Very high96.9Very high132 Ų13272.8 Ų72.857%0.57437%0.368SS*.THydrogen-bonded Turntrans-64.3-14178.5-73.1178.4177.3-179.70113.7V163 E165 Y174V163-K167 HydrophobicContact CG1-CD 4.02Å; V163-K167 HydrophobicContact CG1-CG 4.45Å; V163-K167 WeakPolarHBondContact O-CB 3.02Å; V163-K167 WeakPolarHBondContact O-CG 3.42Å; V163-K167 PolarHBondContact O-N 3.46Å; E165-K167 VanDerWaalsContact C-N 3.33Å; E165-K167 PolarHBondContact O-N 2.8Å; K167-Y174 HydrophobicContact CG-CG 4.17Å
168S97Very high96.7Very high84 Ų8472.5 Ų72.559%0.58736%0.358SS*.THydrogen-bonded Turntrans-84.3-11.317478.30000113.6K164 E165 L166K164-S168 PolarHBondContact O-N 3.03Å; E165-S168 WeakPolarHBondContact O-CB 3.43Å; E165-S168 PolarHBondContact O-N 3.18Å; E165-S168 PolarHBondContact O-OG 3.46Å; L166-S168 PolarHBondContact O-N 2.77Å; L166-S168 VanDerWaalsContact O-N 3.1Å
169F96.5Very high96.7Very high49 Ų4972.4 Ų72.422%0.21536%0.357CS..SBendtrans-77.8137.3-178-64.3-7.2000111.7K136 I139 E165 L166 L172K136-F169 HydrophobicContact CD-CE2 4.2Å; K136-F169 HydrophobicContact CD-CZ 3.75Å; K136-F169 HydrophobicContact CG-CE2 3.97Å; K136-F169 HydrophobicContact CG-CZ 4.05Å; I139-F169 HydrophobicContact CD1-CD2 4.36Å; I139-F169 HydrophobicContact CD1-CE2 4.42Å; I139-F169 HydrophobicContact CG2-CD2 4.09Å; E165-F169 HydrophobicContact CG-CE1 3.91Å; E165-F169 HydrophobicContact CG-CZ 4.03Å; E165-F169 WeakPolarHBondContact O-CD1 3.3Å; L166-F169 HydrophobicContact CD2-CD2 4.18Å; L166-F169 HydrophobicContact CD2-CE2 3.97Å; L166-F169 WeakPolarHBondContact O-CB 3.49Å; L166-F169 PolarHBondContact O-N 3.24Å; F169-L172 HydrophobicContact CB-CB 4.01Å; F169-L172 HydrophobicContact CB-CD2 4.26Å; F169-L172 HydrophobicContact CD2-CD2 4.33Å
170C94.2Very high96.5Very high94 Ų9474.2 Ų74.264%0.63536%0.361SS*.THydrogen-bonded Turntrans-64.6145.1175.7-59.30000111.5Q143 L172Q143-C170 PolarHBondContact NE2-O 3.41Å; C170-L172 PolarHBondContact O-N 3.48Å; C170-L172 VanDerWaalsContact O-N 3.09Å
171N93.8Very high96.3Very high77 Ų7771.8 Ų71.841%0.41235%0.353SS..THydrogen-bonded Turntrans5624.1176.2-53.4-36.8000114P147 R149 T150 I151P147-N171 PolarHBondContact O-ND2 2.93Å; R149-N171 WeakPolarHBondContact O-CB 3.43Å; T150-N171 WeakPolarHBondContact CA-O 3.42Å; I151-N171 PolarHBondContact N-O 2.92Å
172L96.2Very high96Very high25 Ų2566.8 Ų66.813%0.13133%0.33CS..EExtended strand (participates in β ladder)trans-107.1116.8177.7-165.992.3000110.7I139 I151 F153 L166 F169 C170I139-L172 HydrophobicContact CD1-CD1 3.84Å; I139-L172 HydrophobicContact CG1-CD1 4.14Å; I139-L172 HydrophobicContact CG2-CD1 4.19Å; I151-L172 HydrophobicContact CB-CD1 3.93Å; I151-L172 HydrophobicContact CG2-CD1 3.75Å; I151-L172 CarbonylContact O-C 3.59Å; I151-L172 WeakPolarHBondContact O-CA 3.4Å; F153-L172 HydrophobicContact CB-CD1 3.96Å; F153-L172 HydrophobicContact CB-CD2 4.21Å; F153-L172 HydrophobicContact CB-CG 4.13Å; L166-L172 HydrophobicContact CB-CD2 3.91Å; L166-L172 HydrophobicContact CD2-CD2 4.01Å; L166-L172 WeakPolarHBondContact O-CD2 3.45Å; F169-L172 HydrophobicContact CB-CB 4.01Å; F169-L172 HydrophobicContact CB-CD2 4.26Å; F169-L172 HydrophobicContact CD2-CD2 4.33Å; C170-L172 PolarHBondContact O-N 3.48Å; C170-L172 VanDerWaalsContact O-N 3.09Å
173E96Very high95.9Very high75 Ų7568.7 Ų68.735%0.3534%0.344SS..EExtended strand (participates in β ladder)trans-88.5109.5166.9-176.8-168.8141.900108.8T150 I151 I152 F153 V175 R202T150-E173 HydrophobicContact CG2-CB 4.32Å; I151-E173 PolarHBondContact O-N 3.16Å; I152-E173 HydrophobicContact CG1-CB 4.16Å; F153-E173 PolarHBondContact N-O 3.43Å; E173-V175 HydrophobicContact CG-CG2 4.01Å; E173-V175 WeakPolarHBondContact OE1-CG2 3.27Å; E173-R202 IonicContact OE1-CZ 3.92Å; E173-R202 IonicContact OE1-NH1 2.74Å; E173-R202 PolarHBondContact OE1-NH1 3.31Å; E173-R202 IonicContact OE1-NH2 3.47Å; E173-R202 PolarHBondContact OE1-NH2 3.05Å
174Y97.3Very high95.8Very high51 Ų5170.3 Ų70.320%0.236%0.364CS..EExtended strand (participates in β ladder)trans-82.2128173.9169.8-86.6000111F153 D155 V163 L166 K167F153-Y174 HydrophobicContact CD1-CD2 4.15Å; D155-Y174 HydrophobicContact CB-CD2 4.47Å; D155-Y174 HydrophobicContact CB-CE2 3.53Å; D155-Y174 WeakPolarHBondContact OD2-CE2 3.48Å; D155-Y174 PolarHBondContact OD2-OH 3.12Å; V163-Y174 HydrophobicContact CB-CE2 4.26Å; V163-Y174 HydrophobicContact CG1-CD2 4.32Å; V163-Y174 HydrophobicContact CG1-CE1 4.08Å; V163-Y174 HydrophobicContact CG1-CE2 3.74Å; V163-Y174 HydrophobicContact CG2-CE2 3.83Å; L166-Y174 HydrophobicContact CD1-CD2 4.46Å; K167-Y174 HydrophobicContact CG-CG 4.17Å
175V96.1Very high95.6Very high34 Ų3467.4 Ų67.421%0.20635%0.349CS..EExtended strand (participates in β ladder)trans-133125.2176.7-1790000110.5I152 F153 Y154 D155 E173I152-V175 HydrophobicContact CG2-CG2 4.28Å; F153-V175 PolarHBondContact O-N 2.77Å; Y154-V175 CarbonylContact C-O 3.5Å; Y154-V175 VanDerWaalsContact CA-O 3.27Å; Y154-V175 WeakPolarHBondContact CA-O 2.96Å; Y154-V175 HydrophobicContact CD1-CB 4.23Å; Y154-V175 HydrophobicContact CD1-CG1 3.94Å; Y154-V175 HydrophobicContact CE1-CB 4.2Å; Y154-V175 HydrophobicContact CE1-CG1 3.6Å; D155-V175 PolarHBondContact N-O 3.35Å; E173-V175 HydrophobicContact CG-CG2 4.01Å; E173-V175 WeakPolarHBondContact OE1-CG2 3.27Å
176R96.2Very high95.3Very high158 Ų15865.1 Ų65.160%0.59634%0.338SS*.EExtended strand (participates in β ladder)trans-73.2130.6171177.6174.9158.5163.7-6.7110.1E180R176-E180 IonicContact NH2-OE1 2.68Å; R176-E180 IonicContact NH2-OE2 3.62Å
177F95.6Very high95.2Very high2 Ų271.4 Ų71.41%0.00936%0.362CS..  trans-70.3126.6172.7-170.1-88.7000110.1Y154 D155 L156 F179 F182 F186 W194 V197 I198Y154-F177 HydrophobicContact CD1-CB 4.46Å; Y154-F177 HydrophobicContact CD1-CD2 4.07Å; D155-F177 WeakPolarHBondContact O-CB 3.15Å; D155-F177 PolarHBondContact O-N 3.16Å; L156-F177 HydrophobicContact CD2-CB 3.9Å; L156-F177 HydrophobicContact CD2-CD2 4.17Å; L156-F177 HydrophobicContact CD2-CG 3.96Å; F177-F179 VanDerWaalsContact C-N 3.3Å; F177-F179 HydrophobicContact CB-CD2 4.34Å; F177-F179 HydrophobicContact CB-CE2 3.95Å; F177-F179 HydrophobicContact CB-CZ 4.3Å; F177-F179 AromaticContact CD1-CD1 3.62Å; F177-F179 HydrophobicContact CD1-CD1 3.62Å; F177-F179 AromaticContact CD1-CD2 3.84Å; F177-F179 HydrophobicContact CD1-CD2 3.84Å; F177-F179 AromaticContact CD1-CE1 3.55Å; F177-F179 HydrophobicContact CD1-CE1 3.55Å; F177-F179 AromaticContact CD1-CE2 3.78Å; F177-F179 HydrophobicContact CD1-CE2 3.78Å; F177-F179 AromaticContact CD1-CG 3.76Å; F177-F179 HydrophobicContact CD1-CG 3.76Å; F177-F179 AromaticContact CD1-CZ 3.62Å; F177-F179 HydrophobicContact CD1-CZ 3.62Å; F177-F179 AromaticContact CE1-CD1 3.83Å; F177-F179 HydrophobicContact CE1-CD1 3.83Å; F177-F179 AromaticContact CE1-CE1 3.84Å; F177-F179 HydrophobicContact CE1-CE1 3.84Å; F177-F179 HydrophobicContact CE1-CG 4.33Å; F177-F179 HydrophobicContact CE1-CZ 4.34Å; F177-F179 HydrophobicContact CG-CE2 4.27Å; F177-F179 HydrophobicContact CG-CZ 4.22Å; F177-F179 WeakPolarHBondContact O-CD2 3.44Å; F177-F179 PolarHBondContact O-N 2.85Å; F177-F182 AromaticContact CE1-CD2 3.93Å; F177-F182 HydrophobicContact CE1-CD2 3.93Å; F177-F182 HydrophobicContact CE1-CE2 4.13Å; F177-F182 HydrophobicContact CZ-CD2 4.18Å; F177-F182 AromaticContact CZ-CE2 3.99Å; F177-F182 HydrophobicContact CZ-CE2 3.99Å; F177-F186 HydrophobicContact CE1-CD1 4.44Å; F177-F186 HydrophobicContact CZ-CD1 4.37Å; F177-W194 HydrophobicContact CD2-CB 4.33Å; F177-W194 HydrophobicContact CE1-CB 4.38Å; F177-W194 HydrophobicContact CE2-CB 3.79Å; F177-W194 HydrophobicContact CZ-CB 3.81Å; F177-V197 HydrophobicContact CE2-CB 4.4Å; F177-V197 HydrophobicContact CE2-CG1 4.03Å; F177-V197 HydrophobicContact CZ-CB 4.32Å; F177-V197 HydrophobicContact CZ-CG1 3.97Å; F177-I198 HydrophobicContact CD2-CD1 4.18Å; F177-I198 HydrophobicContact CD2-CG1 3.94Å; F177-I198 HydrophobicContact CE2-CD1 4.39Å; F177-I198 HydrophobicContact CE2-CG1 3.82Å
178P94.4Very high95.2Very high37 Ų3772.6 Ų72.624%0.2436%0.363CS..  trans-8370.6-171.633.5-35.2000111.2E180 D181 F182P178-E180 PolarHBondContact O-N 3.45Å; P178-E180 VanDerWaalsContact O-N 3.09Å; P178-D181 HydrophobicContact CB-CB 4.48Å; P178-D181 WeakPolarHBondContact CB-OD2 3.45Å; P178-D181 PolarHBondContact O-N 3.5Å; P178-F182 HydrophobicContact CG-CE2 4.19Å; P178-F182 VanDerWaalsContact O-CD2 3.29Å; P178-F182 WeakPolarHBondContact O-CD2 3.25Å
179F95.5Very high95.1Very high22 Ų2270.6 Ų70.610%0.09635%0.345CS..G310 helixtrans-60.3-19.2-179.5-71.6-75.3000114.2L156 F177 D181 F182 F186 R187 L189L156-F179 HydrophobicContact CB-CZ 4.25Å; L156-F179 HydrophobicContact CD2-CZ 4.01Å; F177-F179 VanDerWaalsContact C-N 3.3Å; F177-F179 HydrophobicContact CB-CD2 4.34Å; F177-F179 HydrophobicContact CB-CE2 3.95Å; F177-F179 HydrophobicContact CB-CZ 4.3Å; F177-F179 AromaticContact CD1-CD1 3.62Å; F177-F179 HydrophobicContact CD1-CD1 3.62Å; F177-F179 AromaticContact CD1-CD2 3.84Å; F177-F179 HydrophobicContact CD1-CD2 3.84Å; F177-F179 AromaticContact CD1-CE1 3.55Å; F177-F179 HydrophobicContact CD1-CE1 3.55Å; F177-F179 AromaticContact CD1-CE2 3.78Å; F177-F179 HydrophobicContact CD1-CE2 3.78Å; F177-F179 AromaticContact CD1-CG 3.76Å; F177-F179 HydrophobicContact CD1-CG 3.76Å; F177-F179 AromaticContact CD1-CZ 3.62Å; F177-F179 HydrophobicContact CD1-CZ 3.62Å; F177-F179 AromaticContact CE1-CD1 3.83Å; F177-F179 HydrophobicContact CE1-CD1 3.83Å; F177-F179 AromaticContact CE1-CE1 3.84Å; F177-F179 HydrophobicContact CE1-CE1 3.84Å; F177-F179 HydrophobicContact CE1-CG 4.33Å; F177-F179 HydrophobicContact CE1-CZ 4.34Å; F177-F179 HydrophobicContact CG-CE2 4.27Å; F177-F179 HydrophobicContact CG-CZ 4.22Å; F177-F179 WeakPolarHBondContact O-CD2 3.44Å; F177-F179 PolarHBondContact O-N 2.85Å; F179-D181 VanDerWaalsContact C-N 3.32Å; F179-F182 VanDerWaalsContact O-O 3.13Å; F179-F186 HydrophobicContact CD1-CB 4.31Å; F179-F186 WeakPolarHBondContact CE1-O 3.34Å; F179-R187 HydrophobicContact CB-CG 4.19Å; F179-R187 HydrophobicContact CD1-CG 3.76Å; F179-R187 HydrophobicContact CE1-CG 4.39Å; F179-R187 HydrophobicContact CG-CG 4.07Å; F179-R187 PolarHBondContact O-NH1 3.46Å; F179-R187 PolarHBondContact O-NH2 2.97Å; F179-L189 HydrophobicContact CE1-CD2 3.98Å; F179-L189 HydrophobicContact CZ-CD2 3.71Å
180E95.4Very high94.9Very high107 Ų10777.6 Ų77.650%0.537%0.37SS..G310 helixtrans-63.2-31.3171.647.6-87.8-157.200113.5R176 P178 F182R176-E180 IonicContact NH2-OE1 2.68Å; R176-E180 IonicContact NH2-OE2 3.62Å; P178-E180 PolarHBondContact O-N 3.45Å; P178-E180 VanDerWaalsContact O-N 3.09Å; E180-F182 VanDerWaalsContact C-N 3.26Å; E180-F182 PolarHBondContact O-N 3.09Å
181D93.3Very high94.8Very high122 Ų12276.9 Ų76.965%0.65236%0.358SS*.G310 helixtrans-83.5-5.2-178.6-63.6-20.3000112.7P178 F179P178-D181 HydrophobicContact CB-CB 4.48Å; P178-D181 WeakPolarHBondContact CB-OD2 3.45Å; P178-D181 PolarHBondContact O-N 3.5Å; F179-D181 VanDerWaalsContact C-N 3.32Å
182F92.6Very high94.7Very high54 Ų5479.2 Ų79.224%0.23736%0.362CS..SBendtrans-122.4152.4-175.3-63.3-78.4000112.3F177 P178 F179 E180 F186 V197F177-F182 AromaticContact CE1-CD2 3.93Å; F177-F182 HydrophobicContact CE1-CD2 3.93Å; F177-F182 HydrophobicContact CE1-CE2 4.13Å; F177-F182 HydrophobicContact CZ-CD2 4.18Å; F177-F182 AromaticContact CZ-CE2 3.99Å; F177-F182 HydrophobicContact CZ-CE2 3.99Å; P178-F182 HydrophobicContact CG-CE2 4.19Å; P178-F182 VanDerWaalsContact O-CD2 3.29Å; P178-F182 WeakPolarHBondContact O-CD2 3.25Å; F179-F182 VanDerWaalsContact O-O 3.13Å; E180-F182 VanDerWaalsContact C-N 3.26Å; E180-F182 PolarHBondContact O-N 3.09Å; F182-F186 HydrophobicContact CB-CB 3.85Å; F182-F186 HydrophobicContact CB-CD1 4.2Å; F182-F186 HydrophobicContact CB-CD2 3.61Å; F182-F186 HydrophobicContact CB-CE2 4.16Å; F182-F186 HydrophobicContact CB-CG 3.61Å; F182-F186 HydrophobicContact CD1-CD1 4.38Å; F182-F186 HydrophobicContact CD1-CD2 4.26Å; F182-F186 HydrophobicContact CD1-CE1 4.13Å; F182-F186 AromaticContact CD1-CE2 3.96Å; F182-F186 HydrophobicContact CD1-CE2 3.96Å; F182-F186 HydrophobicContact CD1-CG 4.44Å; F182-F186 AromaticContact CD1-CZ 3.9Å; F182-F186 HydrophobicContact CD1-CZ 3.9Å; F182-F186 HydrophobicContact CE1-CZ 4.47Å; F182-F186 HydrophobicContact CG-CD1 4.16Å; F182-F186 HydrophobicContact CG-CD2 4.19Å; F182-F186 HydrophobicContact CG-CE1 4.36Å; F182-F186 HydrophobicContact CG-CE2 4.35Å; F182-F186 HydrophobicContact CG-CG 4.06Å; F182-F186 HydrophobicContact CG-CZ 4.44Å; F182-V197 HydrophobicContact CE1-CG1 4.02Å; F182-V197 HydrophobicContact CE1-CG2 4.13Å; F182-V197 HydrophobicContact CE2-CG1 3.98Å; F182-V197 HydrophobicContact CZ-CG1 3.39Å; F182-V197 HydrophobicContact CZ-CG2 4.34Å
183P95.3Very high94.5Very high63 Ų6382.8 Ų82.841%0.40937%0.373SS..  trans-53.7147.2173.1-29.138000112.4Y185 F186P183-Y185 HydrophobicContact CB-CD1 3.64Å; P183-Y185 HydrophobicContact CB-CD2 4.48Å; P183-Y185 HydrophobicContact CB-CE1 3.21Å; P183-Y185 HydrophobicContact CB-CE2 4.11Å; P183-Y185 HydrophobicContact CB-CG 4.26Å; P183-Y185 VanDerWaalsContact CB-CZ 3.46Å; P183-Y185 HydrophobicContact CG-CE1 3.85Å; P183-Y185 HydrophobicContact CG-CE2 4.48Å; P183-Y185 PolarHBondContact O-N 2.71Å; P183-F186 WeakPolarHBondContact O-CB 3.15Å; P183-F186 PolarHBondContact O-N 2.65Å
184G95.3Very high94.2Very high52 Ų5280 Ų8054%0.53636%0.36SS..G310 helixtrans-52.9-25.1-172.800000115.4F186 R187G184-F186 PolarHBondContact O-N 3.11Å; G184-R187 WeakPolarHBondContact O-CB 3.34Å; G184-R187 PolarHBondContact O-N 3.33Å
185Y94.5Very high94Very high107 Ų10780.8 Ų80.842%0.4236%0.364SS..G310 helixtrans-65.3-15.7175.559.5-110.6000114.4P183 R187 R188P183-Y185 HydrophobicContact CB-CD1 3.64Å; P183-Y185 HydrophobicContact CB-CD2 4.48Å; P183-Y185 HydrophobicContact CB-CE1 3.21Å; P183-Y185 HydrophobicContact CB-CE2 4.11Å; P183-Y185 HydrophobicContact CB-CG 4.26Å; P183-Y185 VanDerWaalsContact CB-CZ 3.46Å; P183-Y185 HydrophobicContact CG-CE1 3.85Å; P183-Y185 HydrophobicContact CG-CE2 4.48Å; P183-Y185 PolarHBondContact O-N 2.71Å; Y185-R187 PolarHBondContact O-N 3.5Å; Y185-R188 WeakPolarHBondContact O-CB 3.35Å; Y185-R188 PolarHBondContact O-N 2.95Å; Y185-R188 VanDerWaalsContact O-N 3.14Å
186F92.2Very high93.6Very high23 Ų2383.1 Ų83.110%0.10138%0.38CS..G310 helixtrans-65.2-24.8173.4-94.4-99.1000113.2F177 F179 F182 P183 G184 R188 R193 V197F177-F186 HydrophobicContact CE1-CD1 4.44Å; F177-F186 HydrophobicContact CZ-CD1 4.37Å; F179-F186 HydrophobicContact CD1-CB 4.31Å; F179-F186 WeakPolarHBondContact CE1-O 3.34Å; F182-F186 HydrophobicContact CB-CB 3.85Å; F182-F186 HydrophobicContact CB-CD1 4.2Å; F182-F186 HydrophobicContact CB-CD2 3.61Å; F182-F186 HydrophobicContact CB-CE2 4.16Å; F182-F186 HydrophobicContact CB-CG 3.61Å; F182-F186 HydrophobicContact CD1-CD1 4.38Å; F182-F186 HydrophobicContact CD1-CD2 4.26Å; F182-F186 HydrophobicContact CD1-CE1 4.13Å; F182-F186 AromaticContact CD1-CE2 3.96Å; F182-F186 HydrophobicContact CD1-CE2 3.96Å; F182-F186 HydrophobicContact CD1-CG 4.44Å; F182-F186 AromaticContact CD1-CZ 3.9Å; F182-F186 HydrophobicContact CD1-CZ 3.9Å; F182-F186 HydrophobicContact CE1-CZ 4.47Å; F182-F186 HydrophobicContact CG-CD1 4.16Å; F182-F186 HydrophobicContact CG-CD2 4.19Å; F182-F186 HydrophobicContact CG-CE1 4.36Å; F182-F186 HydrophobicContact CG-CE2 4.35Å; F182-F186 HydrophobicContact CG-CG 4.06Å; F182-F186 HydrophobicContact CG-CZ 4.44Å; P183-F186 WeakPolarHBondContact O-CB 3.15Å; P183-F186 PolarHBondContact O-N 2.65Å; G184-F186 PolarHBondContact O-N 3.11Å; F186-R188 PolarHBondContact O-N 3.03Å; F186-R193 HydrophobicContact CE1-CB 4.35Å; F186-V197 HydrophobicContact CE1-CG2 3.6Å; F186-V197 HydrophobicContact CZ-CG2 3.99Å
187R95.3Very high93.2Very high132 Ų13276.9 Ų76.950%0.49836%0.359SS..G310 helixtrans-68.1-10.7174.3-66.1176.2174.371.40.8112.8F179 G184 Y185 L189F179-R187 HydrophobicContact CB-CG 4.19Å; F179-R187 HydrophobicContact CD1-CG 3.76Å; F179-R187 HydrophobicContact CE1-CG 4.39Å; F179-R187 HydrophobicContact CG-CG 4.07Å; F179-R187 PolarHBondContact O-NH1 3.46Å; F179-R187 PolarHBondContact O-NH2 2.97Å; G184-R187 WeakPolarHBondContact O-CB 3.34Å; G184-R187 PolarHBondContact O-N 3.33Å; Y185-R187 PolarHBondContact O-N 3.5Å; R187-L189 VanDerWaalsContact C-N 3.3Å; R187-L189 PolarHBondContact O-N 3.15Å
188R95.9Very high92.9Very high156 Ų15677.1 Ų77.159%0.58936%0.361SS*.  trans-78.677.4173.8-58.7177.8-176.2170.4-0.7110.2Y185 F186 R190 Q191Y185-R188 WeakPolarHBondContact O-CB 3.35Å; Y185-R188 PolarHBondContact O-N 2.95Å; Y185-R188 VanDerWaalsContact O-N 3.14Å; F186-R188 PolarHBondContact O-N 3.03Å; R188-R190 PolarHBondContact O-N 2.85Å; R188-R190 VanDerWaalsContact O-N 3.12Å; R188-Q191 HydrophobicContact CB-CG 4.02Å; R188-Q191 PolarHBondContact O-N 3.18Å
189L94.8Very high92.5Very high42 Ų4278.3 Ų78.322%0.2237%0.367CS..G310 helixtrans-56.2-33-170.2-57.6-175.2000114.6L156 F179 R187 Q191 Y192 W194L156-L189 HydrophobicContact CB-CD1 4.01Å; L156-L189 HydrophobicContact CB-CD2 4.03Å; L156-L189 HydrophobicContact CD1-CD2 4.46Å; F179-L189 HydrophobicContact CE1-CD2 3.98Å; F179-L189 HydrophobicContact CZ-CD2 3.71Å; R187-L189 VanDerWaalsContact C-N 3.3Å; R187-L189 PolarHBondContact O-N 3.15Å; L189-Q191 PolarHBondContact O-N 3.42Å; L189-Q191 VanDerWaalsContact O-N 3.1Å; L189-Y192 PolarHBondContact O-N 3.33Å; L189-W194 PolarHBondContact O-NE1 3.46Å
190R92.7Very high91.9Very high196 Ų19680 Ų8074%0.7439%0.385SS*.G310 helixtrans-64.8-10.3177.6-66.4-173.3177.6-178.4-1.9114.4E130 R188 Y192E130-R190 IonicContact OE1-NH2 3.82Å; R188-R190 PolarHBondContact O-N 2.85Å; R188-R190 VanDerWaalsContact O-N 3.12Å; R190-Y192 WeakPolarHBondContact O-CD2 3.47Å; R190-Y192 VanDerWaalsContact O-CE2 3.22Å; R190-Y192 WeakPolarHBondContact O-CE2 3.4Å
191Q92.1Very high91.1Very high80 Ų8079 Ų7937%0.37439%0.386SS..G310 helixtrans-94.80.8174.5-45.4-173.8-17.900112.6R188 L189 R193R188-Q191 HydrophobicContact CB-CG 4.02Å; R188-Q191 PolarHBondContact O-N 3.18Å; L189-Q191 PolarHBondContact O-N 3.42Å; L189-Q191 VanDerWaalsContact O-N 3.1Å; Q191-R193 PolarHBondContact O-N 3.37Å; Q191-R193 VanDerWaalsContact OE1-NH2 3.1Å
192Y92.1Very high90.3Very high125 Ų12575.4 Ų75.449%0.4936%0.363SS..  trans53.523.2174.2-51.9-74000115.1L189 R190 W194 K195 P196L189-Y192 PolarHBondContact O-N 3.33Å; R190-Y192 WeakPolarHBondContact O-CD2 3.47Å; R190-Y192 VanDerWaalsContact O-CE2 3.22Å; R190-Y192 WeakPolarHBondContact O-CE2 3.4Å; Y192-W194 AromaticContact CD1-CZ2 3.95Å; Y192-W194 HydrophobicContact CD1-CZ2 3.95Å; Y192-W194 PolarHBondContact O-N 2.69Å; Y192-W194 VanDerWaalsContact O-N 3.14Å; Y192-K195 HydrophobicContact CD1-CD 4.37Å; Y192-K195 WeakPolarHBondContact O-CB 3.42Å; Y192-K195 PolarHBondContact O-N 3.44Å; Y192-P196 WeakPolarHBondContact O-CD 3.12Å
193R91.1Very high89.1Confident100 Ų10075.2 Ų75.238%0.37737%0.372SS..THydrogen-bonded Turntrans-38.1-48.8171.661.172.4155.748.6-5113.4F186 Q191 K195 P196F186-R193 HydrophobicContact CE1-CB 4.35Å; Q191-R193 PolarHBondContact O-N 3.37Å; Q191-R193 VanDerWaalsContact OE1-NH2 3.1Å; R193-K195 VanDerWaalsContact C-N 3.32Å; R193-K195 PolarHBondContact O-N 3.27Å; R193-P196 VanDerWaalsContact O-CD 3.29Å; R193-P196 WeakPolarHBondContact O-CD 3.41Å; R193-P196 WeakPolarHBondContact O-CG 3.45Å
194W91.6Very high87.3Confident18 Ų1877.9 Ų77.97%0.06839%0.387CS..Hα-helixtrans-67.7-27.7-17353.8-98.4000113.2A126 L156 F177 L189 Y192 V197 I198A126-W194 HydrophobicContact CB-CE3 4.01Å; A126-W194 HydrophobicContact CB-CH2 3.95Å; A126-W194 HydrophobicContact CB-CZ3 3.48Å; A126-W194 VanDerWaalsContact CB-CZ3 3.48Å; L156-W194 HydrophobicContact CD1-CD2 3.71Å; L156-W194 VanDerWaalsContact CD1-CE2 3.47Å; L156-W194 HydrophobicContact CD1-CE3 4.13Å; L156-W194 HydrophobicContact CD1-CG 4.14Å; L156-W194 HydrophobicContact CD1-CH2 4.1Å; L156-W194 HydrophobicContact CD1-CZ2 3.69Å; L156-W194 HydrophobicContact CD1-CZ3 4.32Å; L156-W194 HydrophobicContact CD2-CB 4.1Å; L156-W194 HydrophobicContact CD2-CD2 4.15Å; L156-W194 HydrophobicContact CD2-CE3 4.47Å; L156-W194 HydrophobicContact CD2-CG 3.99Å; F177-W194 HydrophobicContact CD2-CB 4.33Å; F177-W194 HydrophobicContact CE1-CB 4.38Å; F177-W194 HydrophobicContact CE2-CB 3.79Å; F177-W194 HydrophobicContact CZ-CB 3.81Å; L189-W194 PolarHBondContact O-NE1 3.46Å; Y192-W194 AromaticContact CD1-CZ2 3.95Å; Y192-W194 HydrophobicContact CD1-CZ2 3.95Å; Y192-W194 PolarHBondContact O-N 2.69Å; Y192-W194 VanDerWaalsContact O-N 3.14Å; W194-V197 PolarHBondContact O-N 2.69Å; W194-I198 HydrophobicContact CE3-CD1 3.61Å; W194-I198 HydrophobicContact CZ3-CD1 4.1Å; W194-I198 WeakPolarHBondContact O-CG1 3.42Å; W194-I198 PolarHBondContact O-N 3.29Å
195K91Very high85.3Confident67 Ų6779.3 Ų79.329%0.29139%0.389SS..Hα-helixtrans-57.5-58.9-177-74.4-172.6178.4-176.80112.7Y192 R193 V197 I198 V199Y192-K195 HydrophobicContact CD1-CD 4.37Å; Y192-K195 WeakPolarHBondContact O-CB 3.42Å; Y192-K195 PolarHBondContact O-N 3.44Å; R193-K195 VanDerWaalsContact C-N 3.32Å; R193-K195 PolarHBondContact O-N 3.27Å; K195-V197 PolarHBondContact O-N 2.79Å; K195-I198 PolarHBondContact O-N 2.93Å; K195-V199 WeakPolarHBondContact O-CG2 3.41Å; K195-V199 PolarHBondContact O-N 3Å; K195-V199 VanDerWaalsContact O-N 3.14Å
196P89.6Confident83.2Confident83 Ų8386.1 Ų86.154%0.53941%0.414SS..Hα-helixtrans-63.3-29.6179.524.7-35.2000112.9Y192 R193 A200Y192-P196 WeakPolarHBondContact O-CD 3.12Å; R193-P196 VanDerWaalsContact O-CD 3.29Å; R193-P196 WeakPolarHBondContact O-CD 3.41Å; R193-P196 WeakPolarHBondContact O-CG 3.45Å; P196-A200 VanDerWaalsContact O-CB 3.26Å; P196-A200 WeakPolarHBondContact O-CB 3.48Å; P196-A200 PolarHBondContact O-N 3.13Å
197V87.5Confident81.5Confident26 Ų2687.5 Ų87.516%0.15842%0.424CS..Hα-helixtrans-67.6-48.9177.3171.40000111.4F177 F182 F186 W194 K195 V199 A200 V201F177-V197 HydrophobicContact CE2-CB 4.4Å; F177-V197 HydrophobicContact CE2-CG1 4.03Å; F177-V197 HydrophobicContact CZ-CB 4.32Å; F177-V197 HydrophobicContact CZ-CG1 3.97Å; F182-V197 HydrophobicContact CE1-CG1 4.02Å; F182-V197 HydrophobicContact CE1-CG2 4.13Å; F182-V197 HydrophobicContact CE2-CG1 3.98Å; F182-V197 HydrophobicContact CZ-CG1 3.39Å; F182-V197 HydrophobicContact CZ-CG2 4.34Å; F186-V197 HydrophobicContact CE1-CG2 3.6Å; F186-V197 HydrophobicContact CZ-CG2 3.99Å; W194-V197 PolarHBondContact O-N 2.69Å; K195-V197 PolarHBondContact O-N 2.79Å; V197-V199 VanDerWaalsContact C-N 3.29Å; V197-V199 PolarHBondContact O-N 2.61Å; V197-A200 PolarHBondContact O-N 2.87Å; V197-V201 HydrophobicContact CG1-CG2 4.23Å; V197-V201 WeakPolarHBondContact O-CB 3.48Å; V197-V201 VanDerWaalsContact O-CG2 3.29Å; V197-V201 WeakPolarHBondContact O-CG2 3.48Å; V197-V201 PolarHBondContact O-N 2.92Å
198I89.4Confident79.7Confident8 Ų884.9 Ų84.94%0.04142%0.42CS..Hα-helixtrans-57-47.3176.7-70.1175.8000110.1L124 A126 Y154 F177 W194 K195 A200 R202L124-I198 HydrophobicContact CD1-CG2 4.16Å; L124-I198 HydrophobicContact CD2-CG2 4.27Å; A126-I198 HydrophobicContact CB-CD1 3.86Å; Y154-I198 HydrophobicContact CD1-CD1 4.01Å; Y154-I198 HydrophobicContact CD1-CG1 3.98Å; Y154-I198 HydrophobicContact CD2-CD1 3.84Å; Y154-I198 HydrophobicContact CD2-CG1 4.1Å; Y154-I198 HydrophobicContact CD2-CG2 3.68Å; Y154-I198 HydrophobicContact CE1-CG1 4.17Å; Y154-I198 HydrophobicContact CE2-CB 4.44Å; Y154-I198 HydrophobicContact CE2-CG1 4.3Å; Y154-I198 HydrophobicContact CE2-CG2 3.51Å; Y154-I198 HydrophobicContact CG-CD1 3.53Å; Y154-I198 HydrophobicContact CG-CG1 3.92Å; Y154-I198 HydrophobicContact CG-CG2 4.37Å; F177-I198 HydrophobicContact CD2-CD1 4.18Å; F177-I198 HydrophobicContact CD2-CG1 3.94Å; F177-I198 HydrophobicContact CE2-CD1 4.39Å; F177-I198 HydrophobicContact CE2-CG1 3.82Å; W194-I198 HydrophobicContact CE3-CD1 3.61Å; W194-I198 HydrophobicContact CZ3-CD1 4.1Å; W194-I198 WeakPolarHBondContact O-CG1 3.42Å; W194-I198 PolarHBondContact O-N 3.29Å; K195-I198 PolarHBondContact O-N 2.93Å; I198-A200 PolarHBondContact O-N 3.43Å; I198-R202 WeakPolarHBondContact O-CB 3.29Å; I198-R202 WeakPolarHBondContact O-CG 3.45Å; I198-R202 PolarHBondContact O-N 3.4Å; I198-R202 VanDerWaalsContact O-N 3.08Å
199V85.7Confident77.9Confident62 Ų6279 Ų7938%0.37640%0.398SS..Hα-helixtrans-61-45.3178.3174.60000110.8K195 V197 R202 A203 V211K195-V199 WeakPolarHBondContact O-CG2 3.41Å; K195-V199 PolarHBondContact O-N 3Å; K195-V199 VanDerWaalsContact O-N 3.14Å; V197-V199 VanDerWaalsContact C-N 3.29Å; V197-V199 PolarHBondContact O-N 2.61Å; V199-R202 PolarHBondContact O-N 2.68Å; V199-A203 WeakPolarHBondContact O-CA 3.44Å; V199-A203 WeakPolarHBondContact O-CB 2.87Å; V199-A203 PolarHBondContact O-N 2.61Å; V199-V211 HydrophobicContact CG2-CG2 3.79Å
200A82Confident76.4Confident58 Ų5879.9 Ų79.948%0.47940%0.4SS..Hα-helixtrans-64.8-46.7-179.500000112.9P196 V197 I198 R202 T204P196-A200 VanDerWaalsContact O-CB 3.26Å; P196-A200 WeakPolarHBondContact O-CB 3.48Å; P196-A200 PolarHBondContact O-N 3.13Å; V197-A200 PolarHBondContact O-N 2.87Å; I198-A200 PolarHBondContact O-N 3.43Å; A200-R202 VanDerWaalsContact C-N 3.25Å; A200-R202 PolarHBondContact O-N 3.11Å; A200-T204 PolarHBondContact O-N 3.12Å; A200-T204 PolarHBondContact O-OG1 2.82Å
201V78.5Confident74.9Confident86 Ų8674 Ų7452%0.52139%0.386SS..Hα-helixtrans-58.9-40.9178.8170.20000110.5V197V197-V201 HydrophobicContact CG1-CG2 4.23Å; V197-V201 WeakPolarHBondContact O-CB 3.48Å; V197-V201 VanDerWaalsContact O-CG2 3.29Å; V197-V201 WeakPolarHBondContact O-CG2 3.48Å; V197-V201 PolarHBondContact O-N 2.92Å
202R77.6Confident73.5Confident45 Ų4572.7 Ų72.717%0.1738%0.381CS..Hα-helixtrans-84.3-36.8-177.7-69.1-66.3-175.5167.44.3113.6L124 I152 Y154 E173 I198 V199 A200 T204 S205 Y209L124-R202 HydrophobicContact CD1-CB 4.17Å; L124-R202 HydrophobicContact CD1-CG 4.4Å; L124-R202 HydrophobicContact CD2-CG 4Å; I152-R202 VanDerWaalsContact CG2-NH2 3.34Å; Y154-R202 HydrophobicContact CE2-CG 4.33Å; Y154-R202 PolarHBondContact OH-NE 3.15Å; E173-R202 IonicContact OE1-CZ 3.92Å; E173-R202 IonicContact OE1-NH1 2.74Å; E173-R202 PolarHBondContact OE1-NH1 3.31Å; E173-R202 IonicContact OE1-NH2 3.47Å; E173-R202 PolarHBondContact OE1-NH2 3.05Å; I198-R202 WeakPolarHBondContact O-CB 3.29Å; I198-R202 WeakPolarHBondContact O-CG 3.45Å; I198-R202 PolarHBondContact O-N 3.4Å; I198-R202 VanDerWaalsContact O-N 3.08Å; V199-R202 PolarHBondContact O-N 2.68Å; A200-R202 VanDerWaalsContact C-N 3.25Å; A200-R202 PolarHBondContact O-N 3.11Å; R202-T204 PolarHBondContact O-N 3.05Å; R202-S205 WeakPolarHBondContact O-CB 3.45Å; R202-S205 PolarHBondContact O-N 3.14Å; R202-Y209 HydrophobicContact CB-CD1 4.43Å; R202-Y209 HydrophobicContact CB-CD2 4.13Å; R202-Y209 HydrophobicContact CB-CE1 3.95Å; R202-Y209 HydrophobicContact CB-CE2 3.64Å; R202-Y209 WeakPolarHBondContact O-CE2 3.38Å; R202-Y209 VanDerWaalsContact O-CZ 3.29Å; R202-Y209 PolarHBondContact O-OH 3.04Å
203A66.6Low71.6Confident51 Ų5173.1 Ų73.142%0.42140%0.396SS..Hα-helixtrans-63.7-21.3178.600000113.2V199 S205 R206V199-A203 WeakPolarHBondContact O-CA 3.44Å; V199-A203 WeakPolarHBondContact O-CB 2.87Å; V199-A203 PolarHBondContact O-N 2.61Å; A203-S205 PolarHBondContact O-N 3.47Å; A203-S205 VanDerWaalsContact O-N 3.14Å; A203-R206 PolarHBondContact O-N 2.8Å
204T57Low70.6Confident118 Ų11871.8 Ų71.872%0.72440%0.397SS*.THydrogen-bonded Turntrans-58.8-24173.2-53.90000112A200 R202 R206A200-T204 PolarHBondContact O-N 3.12Å; A200-T204 PolarHBondContact O-OG1 2.82Å; R202-T204 PolarHBondContact O-N 3.05Å; T204-R206 VanDerWaalsContact C-N 3.34Å; T204-R206 PolarHBondContact O-N 2.83Å
205S53.9Low69.5Low82 Ų8274.6 Ų74.657%0.57342%0.415SS*.THydrogen-bonded Turntrans-82.911.8179.4-65.20000116R202 A203 T207R202-S205 WeakPolarHBondContact O-CB 3.45Å; R202-S205 PolarHBondContact O-N 3.14Å; A203-S205 PolarHBondContact O-N 3.47Å; A203-S205 VanDerWaalsContact O-N 3.14Å; S205-T207 PolarHBondContact O-N 3.13Å
206R51.5Low68.3Low250 Ų25075 Ų7594%0.94342%0.422SS*.SBendtrans60.74.5-178.1-63.7-173.2178-174.40.4116.5A203 T204A203-R206 PolarHBondContact O-N 2.8Å; T204-R206 VanDerWaalsContact C-N 3.34Å; T204-R206 PolarHBondContact O-N 2.83Å
207T55.8Low67.1Low52 Ų5274.5 Ų74.532%0.31942%0.415SS..  trans-87.8140172.5-46.10000110.6I122 S205 Y209I122-T207 HydrophobicContact CB-CG2 4.49Å; I122-T207 HydrophobicContact CD1-CG2 3.67Å; I122-T207 HydrophobicContact CG1-CG2 3.9Å; S205-T207 PolarHBondContact O-N 3.13Å; T207-Y209 WeakPolarHBondContact O-CD2 3.46Å; T207-Y209 WeakPolarHBondContact O-CE2 3.32Å
208L57.8Low65.8Low77 Ų7777.6 Ų77.640%0.40343%0.431SS..  trans-82.4139.6168.9-168.168.8000108.9V110 Y115V110-L208 HydrophobicContact CG1-CD2 4.49Å; V110-L208 HydrophobicContact CG2-CD2 3.97Å; Y115-L208 HydrophobicContact CD1-CD2 4.23Å; Y115-L208 HydrophobicContact CD2-CD2 4.01Å; Y115-L208 HydrophobicContact CE1-CB 4.33Å; Y115-L208 HydrophobicContact CE1-CD2 3.73Å; Y115-L208 HydrophobicContact CE2-CB 4.27Å; Y115-L208 HydrophobicContact CE2-CD2 3.49Å; Y115-L208 VanDerWaalsContact CE2-CD2 3.49Å; Y115-L208 HydrophobicContact CG-CD2 4.37Å; Y115-L208 WeakPolarHBondContact OH-CB 3.33Å
209Y58.3Low64.2Low33 Ų3382.2 Ų82.213%0.12946%0.457CS..EExtended strand (participates in β ladder)trans-119.5137.9-178.6-57.8-91.7000111I122 L124 I152 R202 T207I122-Y209 HydrophobicContact CB-CD1 3.62Å; I122-Y209 HydrophobicContact CB-CE1 3.8Å; I122-Y209 HydrophobicContact CD1-CE1 3.94Å; I122-Y209 HydrophobicContact CG1-CE1 4.42Å; I122-Y209 HydrophobicContact CG2-CD1 3.71Å; I122-Y209 HydrophobicContact CG2-CE1 3.8Å; I122-Y209 WeakPolarHBondContact O-CA 3.25Å; L124-Y209 HydrophobicContact CD1-CD1 3.55Å; L124-Y209 HydrophobicContact CD1-CD2 4.16Å; L124-Y209 HydrophobicContact CD1-CE1 4.42Å; L124-Y209 HydrophobicContact CD1-CG 3.39Å; L124-Y209 HydrophobicContact CD2-CD1 4.04Å; L124-Y209 HydrophobicContact CD2-CE1 4.47Å; L124-Y209 HydrophobicContact CG-CD1 3.58Å; L124-Y209 HydrophobicContact CG-CE1 4.46Å; L124-Y209 HydrophobicContact CG-CG 3.9Å; I152-Y209 HydrophobicContact CD1-CE1 4.42Å; R202-Y209 HydrophobicContact CB-CD1 4.43Å; R202-Y209 HydrophobicContact CB-CD2 4.13Å; R202-Y209 HydrophobicContact CB-CE1 3.95Å; R202-Y209 HydrophobicContact CB-CE2 3.64Å; R202-Y209 WeakPolarHBondContact O-CE2 3.38Å; R202-Y209 VanDerWaalsContact O-CZ 3.29Å; R202-Y209 PolarHBondContact O-OH 3.04Å; T207-Y209 WeakPolarHBondContact O-CD2 3.46Å; T207-Y209 WeakPolarHBondContact O-CE2 3.32Å
210F62.2Low62.7Low61 Ų6183.6 Ų83.627%0.26846%0.463SS..EExtended strand (participates in β ladder)trans-92.5112.7167.8-76.7-97.1000108.5Y115 L116 P121 I122 F123 L124 I212Y115-F210 AromaticContact CD1-CE2 3.74Å; Y115-F210 HydrophobicContact CD1-CE2 3.74Å; Y115-F210 AromaticContact CD1-CZ 3.99Å; Y115-F210 HydrophobicContact CD1-CZ 3.99Å; Y115-F210 AromaticContact CE1-CE2 3.79Å; Y115-F210 HydrophobicContact CE1-CE2 3.79Å; Y115-F210 HydrophobicContact CE1-CZ 4.46Å; L116-F210 HydrophobicContact CD2-CE2 4.42Å; P121-F210 HydrophobicContact CB-CD2 3.33Å; P121-F210 HydrophobicContact CB-CE2 3.57Å; P121-F210 HydrophobicContact CB-CG 4.47Å; P121-F210 HydrophobicContact CG-CD2 4.32Å; P121-F210 HydrophobicContact CG-CE2 4.38Å; I122-F210 PolarHBondContact O-N 2.85Å; F123-F210 HydrophobicContact CD1-CB 3.76Å; F123-F210 HydrophobicContact CE1-CB 3.92Å; F123-F210 HydrophobicContact CE1-CG 4.36Å; L124-F210 PolarHBondContact N-O 2.85Å; F210-I212 PolarHBondContact O-N 2.89Å
211V62.4Low61.2Low71 Ų7185.6 Ų85.643%0.4346%0.461SS..EExtended strand (participates in β ladder)trans-83.9113.4174.9-177.50000108.3L124 V199 T213L124-V211 HydrophobicContact CB-CG2 4.33Å; L124-V211 HydrophobicContact CD1-CG2 4.43Å; L124-V211 CarbonylContact O-C 3.53Å; L124-V211 WeakPolarHBondContact O-CA 3.27Å; V199-V211 HydrophobicContact CG2-CG2 3.79Å; V211-T213 HydrophobicContact CG1-CG2 4.15Å
212I61.9Low59.8Low53 Ų5385.6 Ų85.627%0.27246%0.456SS..  trans-104.8118.9176.1-58.7174.4000107.5F123 L124 T125 A138 V142 F210F123-I212 HydrophobicContact CB-CD1 4.45Å; F123-I212 HydrophobicContact CD1-CD1 3.34Å; F123-I212 HydrophobicContact CD1-CG1 4.18Å; F123-I212 HydrophobicContact CE1-CD1 3.9Å; F123-I212 HydrophobicContact CG-CD1 4.2Å; L124-I212 PolarHBondContact O-N 3.17Å; T125-I212 WeakPolarHBondContact CB-O 3.28Å; T125-I212 PolarHBondContact OG1-O 2.91Å; A138-I212 HydrophobicContact CB-CG2 4.22Å; V142-I212 HydrophobicContact CG2-CD1 3.2Å; F210-I212 PolarHBondContact O-N 2.89Å
213T52.2Low58.2Low134 Ų13489.3 Ų89.382%0.82248%0.482SS*.  trans-113.20177.156.70000110.7V211V211-T213 HydrophobicContact CG1-CG2 4.15Å

Retrieved 213 of 213 residues in 170.8 ms (Link to these results)

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